Basic information
- Standard SMILES
Cc1c(Cl)cc(C(=O)CCC(=O)O)cc1Cl- InChIKey
WCJIEUHCYAYRFE-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2O3
- Average molar mass
- 261.1 g/mol
- Monoisotopic mass
- 260.00069954
Names & identifiers
- Preferred name
- 4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid
- IUPAC
- 4-(3,5-dichloro-4-methylphenyl)-4-oxobutanoic acid
- English name
- 3-(3,5-Dichloro-4-methylbenzoyl)propionic acid
- Molecular formula
- C11H10Cl2O3
- Molecular weight
- 261.1
Names & synonyms
4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid62903-05-33-(3,5-Dichloro-4-methylbenzoyl)propionic acidSCHEMBL8688169DTXSID00501587DB-3563954-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoicacid4-(3,5-Dichloro-4-methylphenyl)-4-oxobutyric acidBenzenebutanoic acid, 3,5-dichloro-4-methyl-γ-oxo-
Database identifiers
- CAS
62903-05-3- PubChem CID
- 12533586
- DTXSID
DTXSID00501587- Nikkaji
- J27.613H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Chemistry & industry
Suppliers2 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
Related reactions
7 records
Linked notes
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