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Home > Aldehydes > 1565845-66-0
1565845-66-0 | 6-methanesulfonyl-5-methylpyridine-3-carbaldehyde
CAS No: 1565845-66-0 Catalog No: AG00IWZP MDL No:MFCD26523304
Product Description
Catalog Number:
AG00IWZP
Chemical Name:
6-methanesulfonyl-5-methylpyridine-3-carbaldehyde
CAS Number:
1565845-66-0
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD26523304
IUPAC Name:
5-methyl-6-methylsulfonylpyridine-3-carbaldehyde
InChI:
InChI=1S/C8H9NO3S/c1-6-3-7(5-10)4-9-8(6)13(2,11)12/h3-5H,1-2H3
InChI Key:
KAMDHZYOTAFXBE-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c(c1)C)S(=O)(=O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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