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115563-11-6 | 3-Penten-2-one, 4-[(4-methylphenyl)sulfonyl]-, (3E)-
CAS No: 115563-11-6 Catalog No: AG000G6X MDL No:
Product Description
Catalog Number:
AG000G6X
Chemical Name:
3-Penten-2-one, 4-[(4-methylphenyl)sulfonyl]-, (3E)-
CAS Number:
115563-11-6
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
4-(4-methylphenyl)sulfonylpent-3-en-2-one
InChI:
InChI=1S/C12H14O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)8-10(2)13/h4-8H,1-3H3
InChI Key:
QGUXENAQQRURBQ-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C(/S(=O)(=O)c1ccc(cc1)C)\C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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