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137129-98-7 | 3-PYRIDINECARBOXYLIC ACID, 6-CHLORO-2-METHYL-
CAS No: 137129-98-7 Catalog No: AG0012UO MDL No:MFCD09842452
Product Description
Catalog Number:
AG0012UO
Chemical Name:
3-PYRIDINECARBOXYLIC ACID, 6-CHLORO-2-METHYL-
CAS Number:
137129-98-7
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD09842452
IUPAC Name:
6-chloro-2-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6ClNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H,10,11)
InChI Key:
SGHDEIVHYSOLRC-UHFFFAOYSA-N
SMILES:
Cc1nc(Cl)ccc1C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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