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129477-22-1 | 3-Pyridinecarboxylic acid, 2,5-dimethyl-
CAS No: 129477-22-1 Catalog No: AG000Z5I MDL No:MFCD18254605
Product Description
Catalog Number:
AG000Z5I
Chemical Name:
3-Pyridinecarboxylic acid, 2,5-dimethyl-
CAS Number:
129477-22-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18254605
IUPAC Name:
2,5-dimethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)6(2)9-4-5/h3-4H,1-2H3,(H,10,11)
InChI Key:
RKNLFMITUFIMNR-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(c1)C(=O)O)C
Properties
Complexity:
158
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:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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