6-methylsulfonylpyridine-3-carbaldehyde


Chemical Name: 6-methylsulfonylpyridine-3-carbaldehyde
CAS Number: 1221792-08-0
Product Number: AG00AA1J(AGN-PC-03EI7Y)
Synonyms:
MDL No:
Molecular Formula: C7H7NO3S
Molecular Weight: 185.2004

Identification/Properties


Computed Properties
Molecular Weight:
185.197g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
185.015g/mol
Monoisotopic Mass:
185.015g/mol
Topological Polar Surface Area:
72.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
254
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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