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25028-33-5 | 4-Pyridinecarboxylic acid, 2-acetyl-
CAS No: 25028-33-5 Catalog No: AG002Q7Y MDL No:MFCD11036201
Product Description
Catalog Number:
AG002Q7Y
Chemical Name:
4-Pyridinecarboxylic acid, 2-acetyl-
CAS Number:
25028-33-5
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD11036201
IUPAC Name:
2-acetylpyridine-4-carboxylic acid
InChI:
InChI=1S/C8H7NO3/c1-5(10)7-4-6(8(11)12)2-3-9-7/h2-4H,1H3,(H,11,12)
InChI Key:
PGIRCPYOUBOWQB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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