3-(4-Hydroxy-3-nitrophenyl)propanoic acid

AlkaPlorer ID: AK273199

Synonym: 4-Hydroxy-3-nitrobenzenepropanoic acid, 4-Hydroxy-3-nitrohydrocinnamic acid, 3-Nitrophloretic acid, T0007B2, Antibiotic T0007B2 

IUPAC Name: 3-(4-hydroxy-3-nitrophenyl)propanoic acid

Structure

SMILES: O=C(O)CCC1=CC=C(O)C([N+](=O)[O-])=C1

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InChI: InChI=1S/C9H9NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1,3,5,11H,2,4H2,(H,12,13)

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InChIKey: KPJMKEOLALLMDY-UHFFFAOYSA-N

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Reference

PubChem CID: 2774186

CAS: 38196-09-7

SuperNatural Ⅲ: SN0191834

COCONUT: CNP0319055

Properties Information

Molecule Weight: 211.173

TPSA: 100.67

MolLogP: 1.3176

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information