Basic information
- CAS
6468-73-1- Standard SMILES
CC(=O)c1cc2cc(C(=O)O)ccc2oc1=O- InChIKey
YZYOZBNENKHAAN-UHFFFAOYSA-N- Molecular formula
- C12H8O5
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.03717335
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-
- IUPAC
- 3-acetyl-2-oxochromene-6-carboxylic acid
- English name
- 3-Acetyl-2-oxo-α-chromene-6-carboxylic acid
- Molecular formula
- C12H8O5
- Molecular weight
- 232.19
Names & synonyms
3-Acetyl-6-carboxycoumarin6468-73-1BRN 1380320SC-3582H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-ACETYL-2-OXO-3-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acidDTXSID102149745-18-08-00582 (Beilstein Handbook Reference)RefChem:268362DTXCID401374653-acetyl-2-oxo-2H-chromene-6-carboxylic acidSCHEMBL27080004
Show more names
3-Acetyl-2-oxo-α-chromene-6-carboxylic acid
SCHEMBL41540386
Database identifiers
- CAS
6468-73-1- PubChem CID
- 22969
- DTXSID
DTXSID10214974- Nikkaji
- J41.267H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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