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4985-92-6 | 5-Methylpyridine-2-carboxaldehyde
CAS No: 4985-92-6 Catalog No: AG0037EU MDL No:MFCD07367942
Product Description
Catalog Number:
AG0037EU
Chemical Name:
5-Methylpyridine-2-carboxaldehyde
CAS Number:
4985-92-6
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD07367942
IUPAC Name:
5-methylpyridine-2-carbaldehyde
InChI:
InChI=1S/C7H7NO/c1-6-2-3-7(5-9)8-4-6/h2-5H,1H3
InChI Key:
SARODJOLCPBJHK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cn1)C
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:
1.2
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