2-Isopropyl-4-(o-chlorophenyl)-3-butenoic acid

HCID 54528296
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Basic information

Standard SMILES
CC(C)C(C=Cc1ccccc1Cl)C(=O)O
InChIKey
YURQMUXKPQUIGZ-UHFFFAOYSA-N
Molecular formula
C13H15ClO2
Average molar mass
238.71 g/mol
Monoisotopic mass
238.0760574

Names & identifiers

Preferred name
2-Isopropyl-4-(o-chlorophenyl)-3-butenoic acid
IUPAC
4-(2-chlorophenyl)-2-propan-2-ylbut-3-enoic acid

Names & synonyms

SCHEMBL11311798SCHEMBL11311800YURQMUXKPQUIGZ-UHFFFAOYSA-N2-isopropyl-4-(o-chlorophenyl)-3-butenoic acid

Database identifiers

PubChem CID
54528296

Properties

Computed structural properties

XLogP
4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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