Home Aldehydes 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde

2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde

CAS No.:
36404-89-4
Catalog Number:
AG003HFS
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$35
- +
5g
97%
1 week
United States
$135
- +
Product Description
Catalog Number:
AG003HFS
Chemical Name:
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CAS Number:
36404-89-4
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD09909918
IUPAC Name:
2-oxo-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)
InChI Key:
DNTYEVWEOFZXFE-UHFFFAOYSA-N
SMILES:
O=c1c(C=O)ccc[nH]1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
2-Pyridone and derivatives: gas-phase acidity, proton affinity, tautomer preference, and leaving group ability. The Journal of organic chemistry 20120217
Properties