Home Carboxys 1-Benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

1-Benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

CAS No.:
4332-79-0
Catalog Number:
AG00D8HR
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$75
- +
1g
98%
In Stock USA
United States
$157
- +
5g
98%
In Stock USA
United States
$582
- +
Product Description
Catalog Number:
AG00D8HR
Chemical Name:
1-Benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
CAS Number:
4332-79-0
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00101801
IUPAC Name:
1-benzyl-6-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChI Key:
LDTBMEOGSQFGDK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties