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Home > Aldehydes > 1185152-57-1
1185152-57-1 | 2-acetylisonicotinaldehyde
CAS No: 1185152-57-1 Catalog No: AG0097OR MDL No:MFCD11036202
Product Description
Catalog Number:
AG0097OR
Chemical Name:
2-acetylisonicotinaldehyde
CAS Number:
1185152-57-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11036202
IUPAC Name:
2-acetylpyridine-4-carbaldehyde
InChI:
InChI=1S/C8H7NO2/c1-6(11)8-4-7(5-10)2-3-9-8/h2-5H,1H3
InChI Key:
KLYIOVQDUIGIKY-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)C(=O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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