2-AMINO-2-(CYCLOHEXADIEN-1,4-YL)ACETIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key JBJJTCGQCRGNOL-UHFFFAOYSA-N
Smiles NC(C(=O)O)C1=CCC=CC1
InChI
InChI=1/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NO2
Molecular Weight 153.08
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 20763-30-8
NORMAN SUSDAT
CONTENTS