3-Methoxy-2-methylbenzoic acid
1. Introduction of3-Methoxy-2-methylbenzoic acid
The 3-Methoxy-2-methylbenzoic acid, with its CAS NO55289-06-0, is a kind ofOff-white power
1. Introduction of 3-Methoxy-2-methylbenzoic acid
The 3-Methoxy-2-methylbenzoic acid, with its CAS NO 55289-06-0, is a kind of Off-white power. It has synonyms of m-Anisicacid, 2-methyl- (6CI,7CI);3-Methoxy-o-toluic acid;Benzoicacid, 3-methoxy-2-methyl- 2-Methyl-3-methoxybenzoic acid.
2. Properties of 3-Methoxy-2-methylbenzoic acid
(1) XLogP3-AA 1.8 (2) H-Bond Don1 (3) H-Bond Accept3
(4) Rotatable Bond Count 2 (5) Exact Mass 166.062994 (6) MonoIsotopic Mass 166.062994
(7) Topological Polar Surface Area 46.5 (8) Heavy Atom Count 12 (9) Complexity 167
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 3
(12) Feature 3D Anion Count 1 (13) Feature 3D Ring Count 1
(14) Effective RotCount 2 (15) Conformer Sampling RMSD 0.6
(16) CID Conformer Count 3
3. Structure descriptors of 3-Methoxy-2-methylbenzoic acid
IUPAC Name: 3-methoxy-2-methylbenzoic acid
InChI: InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKey: JPCISVSOTKMFPG-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC=C1OC)C(=O)O
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