Home Carboxys 6-cyclopropyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid

6-cyclopropyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid

CAS No.:
1135283-67-8
Catalog Number:
AG00HCQA
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00HCQA
Chemical Name:
6-cyclopropyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CAS Number:
1135283-67-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11841034
IUPAC Name:
6-cyclopropyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c11-8-6(9(12)13)3-4-7(10-8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChI Key:
PZTXDGOCNORAQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc([nH]c1=O)C1CC1
Properties
Complexity:
337  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties