Structure & Deep Data of 3-Ethoxy-4-hydroxybenzaldehyde (C9H10O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-Ethoxy-4-hydroxybenzaldehyde molecule contains a total of 22 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aromatic), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic). Images of the chemical structure of 3-Ethoxy-4-hydroxybenzaldehyde are given below:

The 2D chemical structure image of 3-Ethoxy-4-hydroxybenzaldehyde is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Ethoxy-4-hydroxybenzaldehyde are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 3-Ethoxy-4-hydroxybenzaldehyde is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-Ethoxy-4-hydroxybenzaldehyde. Download structure data file (SDF/MOL) file of this compound.

---

chemical table area

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 3-Ethoxy-4-hydroxybenzaldehyde Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Ethoxy-4-hydroxybenzaldehyde

  The SMILES string of 3-Ethoxy-4-hydroxybenzaldehyde is CCOc1cc(C=O)ccc1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Ethoxy-4-hydroxybenzaldehyde.

• Structure Data File (SDF/MOL File) of 3-Ethoxy-4-hydroxybenzaldehyde

  The structure data file (SDF/MOL File) of 3-Ethoxy-4-hydroxybenzaldehyde is available for download in the SDF page of 3-Ethoxy-4-hydroxybenzaldehyde, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Ethoxy-4-hydroxybenzaldehyde. The 3-Ethoxy-4-hydroxybenzaldehyde structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-Ethoxy-4-hydroxybenzaldehyde

  The molecular formula of 3-Ethoxy-4-hydroxybenzaldehyde is available in chemical formula page of 3-Ethoxy-4-hydroxybenzaldehyde, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-Ethoxy-4-hydroxybenzaldehyde

  The molecular weight of 3-Ethoxy-4-hydroxybenzaldehyde is available in molecular weight page of 3-Ethoxy-4-hydroxybenzaldehyde, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 3-Ethoxy-4-hydroxybenzaldehyde

  The 3-Ethoxy-4-hydroxybenzaldehyde compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-Ethoxy-4-hydroxybenzaldehyde including the various registry numbers, if available:

  • EN300-18278
  • BBV-60750897
  • Ethyl vanillin, United States Pharmacopeia (USP) Reference Standard
  • Ethyl vanillin, pharaceutical secondary standard; traceable to USP
  • 3-Ethoxy-4-hydroxybenzaldehyde, Vetec(TM) reagent grade, 99%
  • F2190-0622
  • 3-Ethoxy-4-hydroxybenzaldehyde, ReagentPlus(R), 99%
  • SR-01000865052-2
  • Q-200375
  • I01-6868

  • A804713
  • D01086
  • T7347
  • E0050
  • I915
  • RTR-003489
  • CCG-213720
  • Protocatechuic aldehyde 3-ethyl ether
  • Ethyl vanillin, >=98%, FCC, FG
  • MFCD00006944

  • ANW-17587
  • HY-B0940
  • Ethyl vanillin, analytical standard
  • HMS2267D23
  • 3-ethoxy-4-oxidanyl-benzaldehyde
  • 5-ethoxy-4-hydroxybenzaldehyde
  • BIDD:ER0329
  • 3ethoxy-4-hydroxybenzaldehyde
  • YC9ST449YJ
  • Ethoxy, Hydroxybenzaldehyde

  • Ethyl Vaniilin FCC
  • Vanbeenol
  • Rhodiarome
  • CAS-121-32-4
  • Ethyl vanillin (NF)
  • 3-ethoxy-4-hydroxy benzaldehyde
  • Quantrovanil, Vanillal
  • Ethyl vanillin [NF]
  • FEMA No. 2464
  • 3-ETHOXY-4-HYDROXY-BENZALDEHYDE

  • Ethylprotocatechualdehyde-3-ethyl ether
  • 3-Ethoxyprotocatechualdehyde
  • Ethylprotocatechuic aldehyde
  • Vanirome
  • 2-Ethoxy-4-formylphenol
  • Protocatechuic aldehyde ethyl ether
  • Ethyl protal
  • Vanillin, ethyl-
  • 4-Hydroxy-3-ethoxybenzaldehyde
  • Vanillal

  • Quantrovanil
  • Benzaldehyde, 3-ethoxy-4-hydroxy-
  • Vanilal
  • Vanirom
  • Ethovan
  • Ethavan
  • Ethylprotal
  • Bourbonal
  • 121-32-4
  • Ethylvanillin

  • ETHYL VANILLIN

---

3-Ethoxy-4-hydroxybenzaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Ethoxy-4-hydroxybenzaldehyde?
C9H10O3
How many atoms and what are the elements included the 3-Ethoxy-4-hydroxybenzaldehyde molecule?
22 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 3-Ethoxy-4-hydroxybenzaldehyde structure?
22 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aldehyde(s) (aromatic), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic)
What’s the 3-Ethoxy-4-hydroxybenzaldehyde’s molecular weight?
166.1739 g/mol
What’s the SMILES code of 3-Ethoxy-4-hydroxybenzaldehyde?
CCOc1cc(C=O)ccc1O
What’s the InChI string of 3-Ethoxy-4-hydroxybenzaldehyde?
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
What’s the InChIKey code of 3-Ethoxy-4-hydroxybenzaldehyde?
CBOQJANXLMLOSS-UHFFFAOYSA-N

1340 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).