4-(4-Chlorophenyl)-2-oxobut-3-enoic acid

HCID 367457
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Basic information

Standard SMILES
O=C(O)C(=O)C=Cc1ccc(Cl)cc1
InChIKey
RVSPZCGKZYTJOA-UHFFFAOYSA-N
Molecular formula
C10H7ClO3
Average molar mass
210.61 g/mol
Monoisotopic mass
210.0083718

Names & identifiers

Preferred name
4-(4-Chlorophenyl)-2-oxobut-3-enoic acid
IUPAC
4-(4-chlorophenyl)-2-oxobut-3-enoic acid

Names & synonyms

4-(4-chlorophenyl)-2-oxobut-3-enoic acidp-Chlorobenzalpyruvic AcidNCIOpen2_0032424-chlorobenzylidenepyruvic acidSCHEMBL1620260RVSPZCGKZYTJOA-UHFFFAOYSA-NAKOS030253600DA-20728NCI60_012318

Database identifiers

PubChem CID
367457

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Related reactions

3 records
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Compound notes

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