3-Methylanthranilic acid CAS NO.4389-45-1

1. Introduction of3-Methylanthranilic acid

The 3-Methylanthranilic acid, with its CAS NO4389-45-1, is a kind ofpink to grey-brown crystalli

1. Introduction of 3-Methylanthranilic acid

The 3-Methylanthranilic acid, with its CAS NO 4389-45-1, is a kind of pink to grey-brown crystalline powder. It has synonyms of m-Toluicacid, 2-amino- (6CI,7CI,8CI);2-Amino-3-methylbenzoic acid;2-Amino-m-toluicacid 3-Methyl-2-aminobenzoic acid. 3-Methylanthranilic acid should be stored in shady cool warehouse.
 

2. Properties of 3-Methylanthranilic acid

(1) XLogP3 2.5  (2) H-Bond Don2  (3) H-Bond Accept3
(4) Rotatable Bond Count 1  (5) Tautomer Count 4 (6) Exact Mass 151.063329
(7) MonoIsotopic Mass 151.063329  (8) Topological Polar Surface Area 63.3
(9) Heavy Atom Count 11 (10) Complexity 158  (11) Covalently-Bonded Unit Count 1

(12) Feature 3D AcceptCount 2  (13) Feature 3D DonCount 1
(14) Feature 3D Anion Count 1  (15) Feature 3D Cation Count 1  (16) Feature 3D Ring Count 1
(17) Effective RotCount 1  (18) Conformer Sampling RMSD 0.4  (19) CID Conformer Count 3

3. Structure descriptors of 3-Methylanthranilic acid

SMILES:O=C(O)c1cccc(c1N)C

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

Std. InChIKey:WNAJXPYVTFYEST-UHFFFAOYSA-N