4-(2,3-Dimethylphenyl)-4-hydroxybutanoate

HCID 22010123
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Basic information

Standard SMILES
Cc1cccc(C(O)CCC(=O)[O-])c1C
InChIKey
CDFUODVVKALOPT-UHFFFAOYSA-M
Molecular formula
C12H15O3-
Average molar mass
207.25 g/mol

Names & identifiers

Preferred name
4-(2,3-Dimethylphenyl)-4-hydroxybutanoate
IUPAC
4-(2,3-dimethylphenyl)-4-hydroxybutanoate

Database identifiers

PubChem CID
22010123

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
60.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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