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10154-75-3 | Propanenitrile, 3-(phenylsulfonyl)-
CAS No: 10154-75-3 Catalog No: AG0004R7 MDL No:MFCD00047798
Product Description
Catalog Number:
AG0004R7
Chemical Name:
Propanenitrile, 3-(phenylsulfonyl)-
CAS Number:
10154-75-3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00047798
IUPAC Name:
3-(benzenesulfonyl)propanenitrile
InChI:
InChI=1S/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChI Key:
OVZPZPVSUAKTCM-UHFFFAOYSA-N
SMILES:
N#CCCS(=O)(=O)c1ccccc1
EC Number:
233-424-1
NSC Number:
71443
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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