Basic information
- CAS
73713-71-0- Standard SMILES
CCOC(=O)c1ccc2oc(=O)c(C(=O)C=O)cc2c1- InChIKey
AAVDWGBZOIKECZ-UHFFFAOYSA-N- Molecular formula
- C14H10O6
- Average molar mass
- 274.22 g/mol
- Monoisotopic mass
- 274.04773803
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-carboxylic acid, 3-glyoxyloyl-2-oxo-, ethyl ester
- IUPAC
- ethyl 3-oxaldehydoyl-2-oxochromene-6-carboxylate
- English name
- 3-Glyoxyloyl-2-oxo-2H-1-benzopyran-6-carboxylic acid ethyl ester
- Molecular formula
- C14H10O6
- Molecular weight
- 274.23
Names & synonyms
SC-3483-Glyoxyloyl-6-carbethoxycoumarin3-Glyoxyloyl-2-oxo-2H-1-benzopyran-6-carboxylic acid ethyl ester2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-GLYOXYLOYL-2-OXO-, ETHYL ESTER73713-71-0DTXSID70224019RefChem:268367DTXCID20146510SCHEMBL29500539Ethyl 2-oxo-3-(oxoacetyl)-2H-1-benzopyran-6-carboxylate2H-1-Benzopyran-6-carboxylic acid, 2-oxo-3-(2-oxoacetyl)-, ethyl ester
Database identifiers
- CAS
73713-71-0- PubChem CID
- 52275
- DTXSID
DTXSID70224019- Nikkaji
- J87.890A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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