Home Carboxys 1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

CAS No.:
677762-57-1
Catalog Number:
AG00FGQJ
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00FGQJ
Chemical Name:
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
CAS Number:
677762-57-1
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD16041994
IUPAC Name:
1-cyclopropyl-6-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-8-4-1-6(9(12)13)5-10(8)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChI Key:
WTEIFYMIOHDHRC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(c1)C1CC1
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties