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Home > Aldehydes > 106984-91-2
106984-91-2 | 6-Oxo-1,6-dihydropyridine-3-carbaldehyde
CAS No: 106984-91-2 Catalog No: AG0033CG MDL No:MFCD03094941
Product Description
Catalog Number:
AG0033CG
Chemical Name:
6-Oxo-1,6-dihydropyridine-3-carbaldehyde
CAS Number:
106984-91-2
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD03094941
IUPAC Name:
6-oxo-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)7-3-5/h1-4H,(H,7,9)
InChI Key:
BUMAFTGGYPBHHK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(=O)[nH]c1
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:
-0.6
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