6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid; (5S,6S)-form 

AlkaPlorer ID: AK285817

Synonym: None

IUPAC Name: 6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid

Structure

SMILES: NC1C(C(=O)O)=CC=CC1O

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InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)

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InChIKey: XBTXTLKLSHACSS-UHFFFAOYSA-N

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Reference

PubChem CID: 49852383

CAS: 160399-68-8

COCONUT: CNP0161245.2

Properties Information

Molecule Weight: 155.15299999999996

TPSA: 83.55000000000001

MolLogP: -0.7446000000000004

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information