Home Carboxys 1-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid

1-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid

CAS No.:
1123169-39-0
Catalog Number:
AG008VJV
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG008VJV
Chemical Name:
1-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid
CAS Number:
1123169-39-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12198446
IUPAC Name:
1-ethyl-2-oxopyridine-4-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-2-9-4-3-6(8(11)12)5-7(9)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
MZLMUTMYNUZZTC-UHFFFAOYSA-N
SMILES:
CCn1ccc(cc1=O)C(=O)O
Properties
Complexity:
278  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties