2-AMINO-2-INDANCARBOXYLIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00290762

Structure

InChI Key UHQFXIWMAQOCAN-UHFFFAOYSA-N
Smiles C1C2=CC=CC=C2CC1(C(=O)O)N
InChI
InChI=1S/C10H11NO2/c11-10(9(12)13)5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,11H2,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N1O2
Molecular Weight 177.08
AlogP 0.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 27473-62-7
NORMAN SUSDAT
ChemSpider 219791.0
CONTENTS