Basic information
- CAS
6468-76-4- Standard SMILES
CC(=O)c1cc2cc(C(=O)OC(C)C)ccc2oc1=O- InChIKey
JVEISLFWHJXENT-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester
- IUPAC
- propan-2-yl 3-acetyl-2-oxochromene-6-carboxylate
- English name
- 3-Acetyl-2-oxo-α-chromene-6-carboxylic acid isopropyl ester
- Molecular formula
- C15H14O5
- Molecular weight
- 274.27
Names & synonyms
6468-76-42H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-ACETYL-2-OXO-, ISOPROPYL ESTERBRN 13869163-Acetyl-6-carbisopropoxycoumarinSC-3613-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acid isopropyl esterIsopropyl 3-acetyl-2-oxo-2H-chromene-6-carboxylateSCHEMBL30829234DTXSID90214977Propan-2-yl 3-acetyl-2-oxo-2H-1-benzopyran-6-carboxylate3-Acetyl-2-oxo-α-chromene-6-carboxylic acid isopropyl ester2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, 1-methylethyl ester
Database identifiers
- CAS
6468-76-4- PubChem CID
- 22972
- DTXSID
DTXSID90214977- Nikkaji
- J41.268F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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