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CAS No.: | 123811-72-3 |
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Name: | 3-METHYLPICOLINIC ACID HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C7H8ClNO2 |
Molecular Weight: | 173.02 |
Synonyms: | 2-Pyridinecarboxylicacid, 3-methyl-, hydrochloride (9CI);3-methylpyridine-2-carboxylic acid hydrochloride;3-Methylpyridine-2-carboxylic acid hydrochloride (1:1);2-pyridinecarboxylic acid, 3-methyl-, hydrochloride (1:1); |
PSA: | 50.19000 |
LogP: | 1.08820 |
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The 2-Pyridinecarboxylicacid, 3-methyl-, hydrochloride (1:1), with the CAS registry number 123811-72-3, has the systematic name and IUPAC name of 3-methylpyridine-2-carboxylic acid hydrochloride. And the molecular formula of the chemical is C7H8ClNO2.
The characteristics of 2-Pyridinecarboxylicacid, 3-methyl-, hydrochloride (1:1) are as followings: (1)H-Bond Donor 2; (2)H-Bond Acceptor 3; (3)Rotatable Bond Count 1; (4)Exact Mass 173.024356; (5)MonoIsotopic Mass 173.024356; (6)Topological Polar Surface Area 50.2; (7)Heavy Atom Count 11; (8)Formal Charge 0; (9)Complexity 136; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cccnc1C(=O)O.Cl
(2)InChI: InChI=1/C7H7NO2.ClH/c1-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H
(3)InChIKey: ADZVDJRKIHGDQW-UHFFFAOYAL