3-AMINO-2-METHYLBENZOIC ACID

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

Structure

InChI Key BYHMLZGICSEKIY-UHFFFAOYSA-N
Smiles Cc1c(N)cccc1C([O-])=O
InChI
InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9N1O2
Molecular Weight 151.06
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 52130-17-3
NORMAN SUSDAT
CONTENTS