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2-(2-methylphenyl)butanoic acid hydrate

2-(2-methylphenyl)butanoic acid hydrate

Systemtic Name:2-(2-methylphenyl)butanoic acid hydrate
Openeye Name:2-(o-tolyl)butanoic acid hydrate
CAS Name:2-(2-methylphenyl)butanoic acid hydrate
IUPAC Name:2-(2-methylphenyl)butanoic acid hydrate
Traditional Name:2-(o-tolyl)butyric acid hydrate
Formula: C11H16O3
MolecularWeight: 196.24294
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C)C(=O)O.O


Isomeric SMILES

CCC(C1=CC=CC=C1C)C(=O)O.O


InChI

InChI=1S/C11H14O2.H2O/c1-3-9(11(12)13)10-7-5-4-6-8(10)2;/h4-7,9H,3H2,1-2H3,(H,12,13);1H2


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