3-(3-Chlorophenyl)prop-2-enoic acid

HCID 74631CAS 1866-38-2

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Basic information

Standard SMILES: O=C(O)C=Cc1cccc(Cl)c1
InChIKey: FFKGOJWPSXRALK-UHFFFAOYSA-N
Molecular formula: C9H7ClO2
Average molar mass: 182.6 g/mol
Monoisotopic mass: 182.01345714

Names & identifiers

Preferred name: 3-(3-Chlorophenyl)prop-2-enoic acid
IUPAC: 3-(3-chlorophenyl)prop-2-enoic acid

Names & synonyms

MFCD000043843-(3-chlorophenyl)prop-2-enoic acid3-Chlorocinnamicacid3-CHLORO-CINNAMIC ACIDSCHEMBL79592SCHEMBL1510069SCHEMBL15103673-(3-chlorophenyl) acrylic acidFFKGOJWPSXRALK-UHFFFAOYSA-NAKOS025243289AB003703-(3-chlorophenyl) prop-2-enoic acid

Show more names

trans-3-(3-Chlorophenyl)propenoic acidSY003741DB-044611

Database identifiers

CAS: 1866-38-2
PubChem CID: 74631
DTXSID: DTXSID1075147
ChEMBL: CHEMBL1771752

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 189

Related reactions

46 records

New reaction record

HRID 25968As productuspto-grants-1979_04

HRID 159603As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 197203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 212035As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 285574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 299432As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 375326As reactantuspto-grants-1996_01

HRID 375348As reactantuspto-grants-1996_01

Linked notes

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