2-[2-(4-Methoxyphenyl)cyclopropyl]acetic acid

HCID 22347608

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C2CC2CC(=O)O)cc1
InChIKey: KBRGKJHCWDGEIX-UHFFFAOYSA-N
Molecular formula: C12H14O3
Average molar mass: 206.24 g/mol

Names & identifiers

Preferred name: 2-[2-(4-Methoxyphenyl)cyclopropyl]acetic acid
IUPAC: 2-[2-(4-methoxyphenyl)cyclopropyl]acetic acid

Names & synonyms

2-[2-(4-methoxyphenyl)cyclopropyl]acetic acid853400-98-32-(2-(4-methoxyphenyl)cyclopropyl)acetic acidSCHEMBL2435013KBRGKJHCWDGEIX-UHFFFAOYSA-NEN300-264513

Database identifiers

PubChem CID: 22347608

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Related reactions

5 records

New reaction record

HRID 445822As productuspto-grants-2013_07

HRID 833940As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1876380As productuspto-grants-2012_11

HRID 1909537As productuspto-grants-2013_12

HRID 2069625As productuspto-grants-2012_10

Compound notes

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