Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Basic information
- CAS
66185-68-0- Standard SMILES
Cc1cc(=O)oc2cc(OC(=O)CC(C)C)ccc12- InChIKey
LIOGWDSGOPBCLW-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- Butanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
- IUPAC
- (4-methyl-2-oxochromen-7-yl) 3-methylbutanoate
Names & synonyms
66185-68-04-Methyl-2-oxo-2H-chromen-7-yl 3-methylbutanoateButanoic acid, 3-methyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl esterDTXSID20399807AN-652/411048714-Methyl-2-oxo-2H-1-benzopyran-7-yl 3-methylbutanoate
Database identifiers
- CAS
66185-68-0- PubChem CID
- 4139927
- DTXSID
DTXSID20399807
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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