Basic information
- CAS
80552-14-3- Standard SMILES
O=C(O)CCC(O)c1ccc(Cl)cc1- InChIKey
RBFVBNTZKLQQJN-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3
- Average molar mass
- 214.64 g/mol
- Monoisotopic mass
- 214.0396719
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-4-hydroxybutyric acid
- IUPAC
- 4-(4-chlorophenyl)-4-hydroxybutanoic acid
- English name
- 3-(4-chlorophenyl)-4-hydroxybutyric acid
- Molecular weight
- 0
Names & synonyms
CPHBA80552-14-3RefChem:924183-(4-Chlorophenyl)-4-hydroxybutyric acid4-(4-chlorophenyl)-4-hydroxybutanoic acid4-Chloro-gamma-hydroxybenzenebutanoic acidSCHEMBL7115734DTXSID101001315AKOS000345502Benzenebutanoic acid, 4-chloro-gamma-hydroxy-
Database identifiers
- CAS
80552-14-3- PubChem CID
- 133296
- DTXSID
DTXSID101001315
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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