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113696-95-0 | 2-Propenoic acid, 3-(4-methylphenyl)-2-(phenylsulfonyl)-, ethyl ester
CAS No: 113696-95-0 Catalog No: AG0009C5 MDL No:
Product Description
Catalog Number:
AG0009C5
Chemical Name:
2-Propenoic acid, 3-(4-methylphenyl)-2-(phenylsulfonyl)-, ethyl ester
CAS Number:
113696-95-0
Molecular Formula:
C18H18O4S
Molecular Weight:
330.3981
IUPAC Name:
ethyl 2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C18H18O4S/c1-3-22-18(19)17(13-15-11-9-14(2)10-12-15)23(20,21)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChI Key:
XRSBEZJDKCOTSI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)C)S(=O)(=O)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.398g/mol
Monoisotopic Mass:
330.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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