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74663-96-0 | 3-Methylisonicotinaldehyde
CAS No: 74663-96-0 Catalog No: AG005ADM MDL No:MFCD02181145
Product Description
Catalog Number:
AG005ADM
Chemical Name:
3-Methylisonicotinaldehyde
CAS Number:
74663-96-0
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD02181145
IUPAC Name:
3-methylpyridine-4-carbaldehyde
InChI:
InChI=1S/C7H7NO/c1-6-4-8-3-2-7(6)5-9/h2-5H,1H3
InChI Key:
JFFOBFAGCSLMSV-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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