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812691-80-8 | 3-cyanopropane-1-sulfonamide
CAS No: 812691-80-8 Catalog No: AG01A34S MDL No:MFCD12776347
Product Description
Catalog Number:
AG01A34S
Chemical Name:
3-cyanopropane-1-sulfonamide
CAS Number:
812691-80-8
Molecular Formula:
C4H8N2O2S
Molecular Weight:
148.1835
MDL Number:
MFCD12776347
IUPAC Name:
3-cyanopropane-1-sulfonamide
InChI:
InChI=1S/C4H8N2O2S/c5-3-1-2-4-9(6,7)8/h1-2,4H2,(H2,6,7,8)
InChI Key:
GRLBVVXKOWNAMG-UHFFFAOYSA-N
SMILES:
N#CCCCS(=O)(=O)N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.18g/mol
Monoisotopic Mass:
148.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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