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Home > Aldehydes > 100910-66-5
100910-66-5 | 3-Pyridinecarboxaldehyde, 5-methyl-
CAS No: 100910-66-5 Catalog No: AG000366 MDL No:MFCD08272078
Product Description
Catalog Number:
AG000366
Chemical Name:
3-Pyridinecarboxaldehyde, 5-methyl-
CAS Number:
100910-66-5
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD08272078
IUPAC Name:
5-methylpyridine-3-carbaldehyde
InChI:
InChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
InChI Key:
BCSGDXYJDSJMFA-UHFFFAOYSA-N
SMILES:
Cc1cc(C=O)cnc1
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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