2-Amino-6-methylben...

2-Amino-6-methylbenzoic acid

2-Amino-6-methylbenzoic acid

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  • Purity: 99%

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  • Appearance:light yellow powder
  • Application:Pharmaceutical Intermediates
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  • Storage:sealed storage in shady and cool warehouse
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1. Introduction of 2-Amino-6-methylbenzoic acid

 

The 2-Amino-6-methylbenzoic acid, with its CAS NO 4389-50-8, is a kind of light yellow powder. It has synonyms of o-Toluicacid, 6-amino- (6CI,8CI);6-Amino-o-toluic acid;6-Methyl-2-aminobenzoic acid;6-Methylanthranilic acid and ACR 1308.
 

2. Properties of 2-Amino-6-methylbenzoic acid

 

Molecular Weight 151.16256 [g/mol]
Molecular Formula C8H9NO2
XLogP3 1.6
H-Bond Donor 2
H-Bond Acceptor 3
Rotatable Bond Count 1
Tautomer Count 12
Exact Mass 151.063329
MonoIsotopic Mass 151.063329
Topological Polar Surface Area 63.3
Heavy Atom Count 11
Complexity 158 
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 2
Feature 3D Donor Count 1
Feature 3D Anion Count 1
Feature 3D Cation Count 1
Feature 3D Ring Count 1
Effective Rotor Count 1
Conformer Sampling RMSD 0.4
CID Conformer Count 3

 

3. Structure descriptors of 2-Amino-6-methylbenzoic acid

 

IUPAC Name: 2-amino-6-methylbenzoic acid

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

InChIKey: XHYVBIXKORFHFM-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C(=CC=C1)N)C(=O)O

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