(E)-3-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-2-propenenitrile
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(E)-3-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-2-propenenitrile
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CAS No:
7605-38-1
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Formula:
C16H11NO4S
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Chemical Name:
(E)-3-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-2-propenenitrile
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Synonyms:
3-BENZO[3,4-D]1,3-DIOXOLEN-5-YL-2-(PHENYLSULFONYL)PROP-2-ENENITRILE;(2E)-2-(benzenesulfonyl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enenitrile;ZINC2574823;MFCD01567390;STK445047;AKOS003321064;MS-7662;ST50847861;(2E)-3-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile;(2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
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CAS No:
(E)-3-(1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)-2-propenenitrile Basic Attributes
313.33
313.040879 g/mol
Computed Properties
Molecular Weight:313.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:313.04087901
Monoisotopic Mass:313.04087901
Topological Polar Surface Area:84.8
Heavy Atom Count:22
Complexity:577
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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