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1012-69-7 | 2-Propenenitrile, 3-[(3-methylphenyl)sulfonyl]-
CAS No: 1012-69-7 Catalog No: AG0003XR MDL No:
Product Description
Catalog Number:
AG0003XR
Chemical Name:
2-Propenenitrile, 3-[(3-methylphenyl)sulfonyl]-
CAS Number:
1012-69-7
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
(E)-3-(3-methylphenyl)sulfonylprop-2-enenitrile
InChI:
InChI=1S/C10H9NO2S/c1-9-4-2-5-10(8-9)14(12,13)7-3-6-11/h2-5,7-8H,1H3/b7-3+
InChI Key:
KMJWIAQKSMWTEO-XVNBXDOJSA-N
SMILES:
N#CC=CS(=O)(=O)c1cccc(c1)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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