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1173025-60-9 | 4-Pyridinecarboxylic acid, 3-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 1173025-60-9 Catalog No: AG000E3B MDL No:MFCD09910330
Product Description
Catalog Number:
AG000E3B
Chemical Name:
4-Pyridinecarboxylic acid, 3-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
1173025-60-9
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
MDL Number:
MFCD09910330
IUPAC Name:
methyl 3-methylpyridine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H9NO2.ClH/c1-6-5-9-4-3-7(6)8(10)11-2;/h3-5H,1-2H3;1H
InChI Key:
JEQLOTQGCMGJGX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1C.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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