Basic information
- CAS
58282-60-3- Standard SMILES
CC(C(=O)O)c1ccc2c(c1)C(=O)CC(C(C)C)O2- InChIKey
IMEPSBLHFMECET-UHFFFAOYSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-alpha-methyl-2-(1-methylethyl)-4-oxo-
- IUPAC
- 2-(4-oxo-2-propan-2-yl-2,3-dihydrochromen-6-yl)propanoic acid
- English name
- 3,4-Dihydro-α-methyl-2-isopropyl-4-oxo-2H-1-benzopyran-6-acetic acid
- Molecular formula
- C15H18O4
- Molecular weight
- 262.3
Names & synonyms
FPL 5830258282-60-32H-1-Benzopyran-6-acetic acid, 3,4-dihydro-alpha-methyl-2-(1-methylethyl)-4-oxo-SCHEMBL11556142DTXSID70973833FPL-583022-[4-Oxo-2-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]propanoic acid3,4-Dihydro-alpha-methyl-2-isopropyl-4-oxo-2H-1-benzopyran-6-acetic acidDB-3041093,4-Dihydro-α-methyl-2-isopropyl-4-oxo-2H-1-benzopyran-6-acetic acid2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-α-methyl-2-(1-methylethyl)-4-oxo-
Database identifiers
- CAS
58282-60-3- PubChem CID
- 3085138
- DTXSID
DTXSID70973833- Nikkaji
- J394.844G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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