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114140-96-4 | 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
CAS No: 114140-96-4 Catalog No: AG000ANX MDL No:
Product Description
Catalog Number:
AG000ANX
Chemical Name:
2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
CAS Number:
114140-96-4
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
IUPAC Name:
ethyl 3-(benzenesulfonyl)prop-2-enoate
InChI:
InChI=1S/C11H12O4S/c1-2-15-11(12)8-9-16(13,14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
RHDRJDLPBOHOAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C\S(=O)(=O)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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