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179524-36-8 | 3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-
CAS No: 179524-36-8 Catalog No: AG00272H MDL No:MFCD28518029
Product Description
Catalog Number:
AG00272H
Chemical Name:
3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-
CAS Number:
179524-36-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD28518029
IUPAC Name:
6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-2-5-3-4-6(8(11)12)7(10)9-5/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChI Key:
DHKGUYMMSGKXPF-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(=O)[nH]1)C(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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