3-Amino-2-methylbenzoic acid CAS NO.52130-17-3

1. Introduction of3-Amino-2-methylbenzoic acid

The 3-Amino-2-methylbenzoic acid, with its CAS NO52130-17-3, is a kind ofwhite to beige powd

1. Introduction of 3-Amino-2-methylbenzoic acid

The 3-Amino-2-methylbenzoic acid, with its CAS NO 52130-17-3, is a kind of white to beige powder. It has synonyms of o-Toluicacid, 3-amino- (6CI);2-Methyl-3-aminobenzoic acid. 3-Amino-2-methylbenzoic acid should be stored in shady cool warehouse.

2. Properties of 3-Amino-2-methylbenzoic acid

(1) XLogP3-AA 1.1  (2) H-Bond Don2  (3) H-Bond Accept3
(4) Rotatable Bond Count 1  (5) Exact Mass 151.063329  (6) MonoIsotopic Mass 151.063329
(7) Topological Polar Surface Area 63.3  (8) Heavy Atom Count 11  (9) Complexity 158 
(10) Covalently-Bonded Unit Count 1  (11) Feature 3D AcceptCount 2
(12) Feature 3D DonCount 1  (13) Feature 3D Anion Count 1
(14) Feature 3D Cation Count 1  (15) Feature 3D Ring Count 1
(16) Effective RotCount 1  (17) Conformer Sampling RMSD 0.4
(18) CID Conformer Count 3
 

3. Structure descriptors of 3-Amino-2-methylbenzoic acid

IUPAC Name: 3-amino-2-methylbenzoic acid

InChI: InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)

InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=C1N)C(=O)O