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89942-59-6

89942-59-6 | 2-Acetylnicotinic acid

CAS No: 89942-59-6 Catalog No: AG0038K2 MDL No:MFCD05662419

Product Description

Catalog Number:
AG0038K2
Chemical Name:
2-Acetylnicotinic acid
CAS Number:
89942-59-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD05662419
IUPAC Name:
2-acetylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7NO3/c1-5(10)7-6(8(11)12)3-2-4-9-7/h2-4H,1H3,(H,11,12)
InChI Key:
JYUCDFZMJMRPHS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1C(=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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