SDF/Mol File of Ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate (C12H12N2O3)

Structure Data File (SDF/MOL File) Description

---

chemical table area

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

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 Ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate Molecule

• Chemical structure of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate is available in chemical structure page of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate

  The molecular weight of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate is available in molecular weight page of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate

  The chemical formula of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate is given in chemical formula page of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate is:

  InChI=1S/C12H12N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)12(16)14-13-10/h3-6H,2,7H2,1H3,(H,14,16)

  It can provide a standard way to encode the molecular information of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate is:

  InChIKey=XBIOFKSFKYRIIX-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, but it needs to be linked to the full InChI to get back to the original structure of the ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate

  The ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate including the registry numbers are listed below, if available:

  • (4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid ethyl ester
  • 4-Oxo-3,4-dihydro-1-phthalazineacetic acid ethyl ester
  • I14-30684
  • ethyl 2-(4-oxo-3,4-dihydro-1-phthalazinyl)acetate
  • ethyl 1,2-dihydro-1-oxophthalazin-4-ylacetate
  • ethyl 3,4-dihydro-4-oxo-1-phthalazineacetate
  • R1510
  • ethyl-4-oxo-3H-phthalazin-1-ylacetate
  • ethyl 4-oxo-3H-phthalazin-1-ylacetate
  • MFCD00024142

  • 8564AD
  • ZX-AN011453
  • HMS3359I05
  • HMS2638M08
  • HMS555C20
  • 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, ethyl ester
  • ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
  • 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
  • ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate
  • 25947-13-1

---

Ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate formula?
C12H12N2O3
How many atoms and what elements are included in the ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate molecule?
29 atom(s) - 12 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate structure?
30 bond(s) - 18 non-H bond(s), 9 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 ester(s) (aliphatic), and 1 hydrazone(s)
What’s the ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate’s molar mass?
232.23528 g/mol
What’s the SMILES structure of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
CCOC(=O)Cc1n[nH]c(=O)c2ccccc12
What’s the InChI code of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
InChI=1S/C12H12N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)12(16)14-13-10/h3-6H,2,7H2,1H3,(H,14,16)
What’s the InChIKey format of ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
XBIOFKSFKYRIIX-UHFFFAOYSA-N

6 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).