3-Amino-2-methylbenzoic acid
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
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