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Home > Aldehydes > 1227575-72-5
1227575-72-5 | 3-Pyridinecarboxaldehyde, 1,2-dihydro-5-methyl-2-oxo-
CAS No: 1227575-72-5 Catalog No: AG000JCA MDL No:MFCD23135701
Product Description
Catalog Number:
AG000JCA
Chemical Name:
3-Pyridinecarboxaldehyde, 1,2-dihydro-5-methyl-2-oxo-
CAS Number:
1227575-72-5
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD23135701
IUPAC Name:
5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-5-2-6(4-9)7(10)8-3-5/h2-4H,1H3,(H,8,10)
InChI Key:
JQWYFXUXPLICMZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c[nH]c1=O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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