3-(4-Chlorocinnamoyl)-propionic acid

HCID 54351013
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Basic information

Standard SMILES
O=C(O)CCC(=O)C=Cc1ccc(Cl)cc1
InChIKey
UFTRFXAENCQOPW-UHFFFAOYSA-N
Molecular formula
C12H11ClO3
Average molar mass
238.66 g/mol

Names & identifiers

Preferred name
3-(4-Chlorocinnamoyl)-propionic acid
IUPAC
6-(4-chlorophenyl)-4-oxohex-5-enoic acid

Names & synonyms

SCHEMBL8685645UFTRFXAENCQOPW-UHFFFAOYSA-N3-(4-chlorocinnamoyl)-propionic acid

Database identifiers

PubChem CID
54351013

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16

Related reactions

8 records
New reaction record

Linked notes

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