2H-1-Benzopyran-3-carboxylic acid, 7-amino-2-oxo-, ethyl ester

HCID 51668

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Basic information

CAS: 72705-82-9
Standard SMILES: CCOC(=O)c1cc2ccc(N)cc2oc1=O
InChIKey: HBTIKNFRYMQNGT-UHFFFAOYSA-N
Molecular formula: C12H11NO4
Average molar mass: 233.22 g/mol
Monoisotopic mass: 233.06880783

Names & identifiers

Preferred name: 2H-1-Benzopyran-3-carboxylic acid, 7-amino-2-oxo-, ethyl ester
IUPAC: ethyl 7-amino-2-oxochromene-3-carboxylate

Names & synonyms

72705-82-9BRN 0238044Ethyl 7-aminocoumarin-3-carboxylate2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 7-AMINO-2-OXO-, ETHYL ESTER7-Amino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl esterDTXSID702230074-18-00-08269 (Beilstein Handbook Reference)RefChem:268337DTXCID30145498Ethyl 7-amino-2-oxo-2H-chromene-3-carboxylateSCHEMBL11595332Ethyl 7-amino-2-oxo-2H-1-benzopyran-3-carboxylate

Database identifiers

CAS: 72705-82-9
PubChem CID: 51668
DTXSID: DTXSID70223007

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 364

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