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36404-89-4 | 2-Oxo-1,2-dihydropyridine-3-carbaldehyde
CAS No: 36404-89-4 Catalog No: AG003HFS MDL No:MFCD07698588
Product Description
Catalog Number:
AG003HFS
Chemical Name:
2-Oxo-1,2-dihydropyridine-3-carbaldehyde
CAS Number:
36404-89-4
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD07698588
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 |
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