Home Carboxys 5-acetylpyridine-3-carboxylic acid

5-acetylpyridine-3-carboxylic acid

CAS No.:
65907-12-2
Catalog Number:
AG01A38Q
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
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Product Description
Catalog Number:
AG01A38Q
Chemical Name:
5-acetylpyridine-3-carboxylic acid
CAS Number:
65907-12-2
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD18256184
IUPAC Name:
5-acetylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7NO3/c1-5(10)6-2-7(8(11)12)4-9-3-6/h2-4H,1H3,(H,11,12)
InChI Key:
RQMHGAMGCAYIGM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncc(c1)C(=O)O
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:
0.1  
Properties