2-Methyl-6-nitrobenzoic acid, 2-Methyl-6-nitrobenzoic acid buy, 2-Methyl-6-nitrobenzoic acid hot sale,2-Methyl-6-nitrobenzoic acid suppliers CAS NO.13506-76-8

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1. Introduction of 2-Methyl-6-nitrobenzoic acid

The 2-Methyl-6-nitrobenzoic acid, with its CAS NO 13506-76-8, is a kind of powder. It has synonyms of o-Toluicacid, 6-nitro- (6CI,8CI);6-Methyl-2-nitrobenzoicacid 6-Nitro-o-toluic acid. 2-Methyl-6-nitrobenzoic acid should be stored in shady cool warehouse.

2. Properties of 2-Methyl-6-nitrobenzoic acid

(1) XLogP3 0.8  (2) H-Bond Don1  (3) H-Bond Accept4
(4) Rotatable Bond Count 1 (5) Exact Mass 181.037508 (6) MonoIsotopic Mass 181.037508
(7) Topological Polar Surface Area 83.1 (8) Heavy Atom Count 13 (9) Complexity 223 
(10) Covalently-Bonded Unit Count 1  (11) Feature 3D AcceptCount 4
(12) Feature 3D Anion Count 2 (13) Feature 3D Ring Count 1 (14) Effective RotCount 2
(15) Conformer Sampling RMSD 0.6  (16) CID Conformer Count 1
 

3. Structure descriptors of 2-Methyl-6-nitrobenzoic acid

IUPAC Name: 2-methyl-6-nitrobenzoic acid

InChI: InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey: CCXSGQZMYLXTOI-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O