4-nitrophenyl cyclohexanecarboxylate

AlkaPlorer ID: AK318455

Synonym: None

IUPAC Name: (4-nitrophenyl) cyclohexanecarboxylate

Structure

SMILES: O=C(OC1=CC=C([N+](=O)[O-])C=C1)C1CCCCC1

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InChI: InChI=1S/C13H15NO4/c15-13(10-4-2-1-3-5-10)18-12-8-6-11(7-9-12)14(16)17/h6-10H,1-5H2

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InChIKey: UCQFTYKBLBJWIO-UHFFFAOYSA-N

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Reference

PubChem CID: 26104

CAS: 13551-17-2

NPASS: NPC123993

Properties Information

Molecule Weight: 249.266

TPSA: 69.44

MolLogP: 3.0805000000000016

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information