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19733-96-1 | 3-Pyridineacetic acid, 6-methyl-
CAS No: 19733-96-1 Catalog No: AG002AR0 MDL No:MFCD00190601
Product Description
Catalog Number:
AG002AR0
Chemical Name:
3-Pyridineacetic acid, 6-methyl-
CAS Number:
19733-96-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00190601
IUPAC Name:
2-(6-methylpyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H9NO2/c1-6-2-3-7(5-9-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChI Key:
DWTRPWLHNATUPX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(nc1)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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