Home Carboxys 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid

2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid

CAS No.:
1203544-02-8
Catalog Number:
AG00IKZV
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG00IKZV
Chemical Name:
2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CAS Number:
1203544-02-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD26096892
IUPAC Name:
2-oxo-1-propan-2-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c1-6(2)10-4-3-7(9(12)13)5-8(10)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
FRMULVSYTSBJHX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(c(=O)c1)C(C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties