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144460-84-4 | 2-Propenenitrile, 3-(phenylsulfonyl)-, (Z)- (9CI)
CAS No: 144460-84-4 Catalog No: AG001JLK MDL No:
Product Description
Catalog Number:
AG001JLK
Chemical Name:
2-Propenenitrile, 3-(phenylsulfonyl)-, (Z)- (9CI)
CAS Number:
144460-84-4
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
3-(benzenesulfonyl)prop-2-enenitrile
InChI:
InChI=1S/C9H7NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-6,8H
InChI Key:
VYULCLGNLSTLFX-UHFFFAOYSA-N
SMILES:
N#C/C=C\S(=O)(=O)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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