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1221792-08-0 | 6-(Methylsulfonyl)nicotinaldehyde
CAS No: 1221792-08-0 Catalog No: AG00AA1J MDL No:MFCD16140366
Product Description
Catalog Number:
AG00AA1J
Chemical Name:
6-(Methylsulfonyl)nicotinaldehyde
CAS Number:
1221792-08-0
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
MDL Number:
MFCD16140366
IUPAC Name:
6-methylsulfonylpyridine-3-carbaldehyde
InChI:
InChI=1S/C7H7NO3S/c1-12(10,11)7-3-2-6(5-9)4-8-7/h2-5H,1H3
InChI Key:
CFNNBWFFIJXFND-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)S(=O)(=O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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