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111903-20-9 | Methanesulfonamide, N-(1-methyl-2-propynyl)-
CAS No: 111903-20-9 Catalog No: AG00840U MDL No:
Product Description
Catalog Number:
AG00840U
Chemical Name:
Methanesulfonamide, N-(1-methyl-2-propynyl)-
CAS Number:
111903-20-9
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
N-but-3-yn-2-ylmethanesulfonamide
InChI:
InChI=1S/C5H9NO2S/c1-4-5(2)6-9(3,7)8/h1,5-6H,2-3H3
InChI Key:
FHZVASPNPXYGBN-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)C)C#C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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