Molecular Weight of Peucedanin (C15H14O4)
Identification of Peucedanin Chemical Compound
| Chemical Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.26926 g/mol |
| IUPAC Name | 6-methoxy-7-(propan-2-yl)-2H-furo[3,2-g]chromen-2-one |
| SMILES String | COc2c(oc3cc1oc(=O)ccc1cc23)C(C)C |
| InChI | InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3 |
| InChIKey | YQBNJPACAUPNLV-UHFFFAOYSA-N |
Molecular Weight Description
The Peucedanin molecule consists of 14 Hydrogen atom(s), 15 Carbon atom(s), and 4 Oxygen atom(s) - a total of 33 atom(s). The molecular weight of Peucedanin is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 258.26926 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Peucedanin Molecule
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Structure Data File (SDF/MOL File) of Peucedanin
The structure data file (SDF/MOL File) of Peucedanin is available for download in the SDF page of Peucedanin, which provides the information on atoms, bonds, connectivity and coordinates of Peucedanin. The Peucedanin structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Peucedanin
The molecular structure image of Peucedanin is available in chemical structure page of Peucedanin, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Peucedanin and the chemical bonds that hold the atoms together.
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Chemical formula of Peucedanin
The molecular formula of Peucedanin is given in chemical formula page of Peucedanin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Peucedanin
In addition to the molecular weight information, the structural information of Peucedanin in a textual expression is available via InChi. The full standard InChI of Peucedanin is given below:
InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
It can provide a way to encode the molecular information of Peucedanin 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 Peucedanin is:
InChIKey=YQBNJPACAUPNLV-UHFFFAOYSA-N
It may allow easier web searches for Peucedanin. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Peucedanin as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Peucedanin
There may be different names of the Peucedanin compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one; 2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one
- 7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-
- BRD-K72034655-001-02-1
- 6-methoxy-7-(methylethyl)furano[3,2-g]chromen-2-one
- 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
- 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
- AB00053108-02
- SDCCGMLS-0066802.P001
- CCG-40070
- HMS2675C08
- SPECTRUM1504168
- Bio-0240
- 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-
- 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one
- 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone
- 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone
- N021633LOB
- 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one
- 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
- 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin
- 133-26-6
- Oreoselone methyl ether
- Peutsedin
- Peucedanin
Peucedanin Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Peucedanin? |
|---|
| C15H14O4 |
| How many atoms and what are the elements in the Peucedanin molecule? |
| 33 atom(s) - 14 Hydrogen atom(s), 15 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Peucedanin structure? |
| 35 bond(s) - 21 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 1 ester(s) (aliphatic), 1 ether(s) (aromatic), and 1 Furane(s) |
| What’s the molar mass of Peucedanin? |
| 258.26926 g/mol |
| What’s the SMILES format of Peucedanin? |
| COc2c(oc3cc1oc(=O)ccc1cc23)C(C)C |
| What’s the InChI format of Peucedanin? |
| InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3 |
| What’s the InChIKey string of Peucedanin? |
| YQBNJPACAUPNLV-UHFFFAOYSA-N |
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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).