4-Chlorobenzoylpropionic acid

HCID 18917115
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Basic information

Standard SMILES
CC(C(=O)O)C(=O)c1ccc(Cl)cc1
InChIKey
SJWYSQSQKVAXML-UHFFFAOYSA-N
Molecular formula
C10H9ClO3
Average molar mass
212.63 g/mol
Monoisotopic mass
212.0240218

Names & identifiers

Preferred name
4-Chlorobenzoylpropionic acid
IUPAC
3-(4-chlorophenyl)-2-methyl-3-oxopropanoic acid

Names & synonyms

p-chlorobenzoylpropionic acid4-chlorobenzoylpropionic acid4-Chlorobenzoyl propionic acidSCHEMBL8683450SJWYSQSQKVAXML-UHFFFAOYSA-N

Database identifiers

PubChem CID
18917115

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Related reactions

12 records
New reaction record

Linked notes

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