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1159834-58-8 | 2-Propenoic acid, 3-[3-(chlorosulfonyl)phenyl]-, ethyl ester
CAS No: 1159834-58-8 Catalog No: AG000HCZ MDL No:
Product Description
Catalog Number:
AG000HCZ
Chemical Name:
2-Propenoic acid, 3-[3-(chlorosulfonyl)phenyl]-, ethyl ester
CAS Number:
1159834-58-8
Molecular Formula:
C11H11ClO4S
Molecular Weight:
274.7206
IUPAC Name:
ethyl (E)-3-(3-chlorosulfonylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H11ClO4S/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)17(12,14)15/h3-8H,2H2,1H3/b7-6+
InChI Key:
KEUCZFOLYFRYTK-VOTSOKGWSA-N
SMILES:
CCOC(=O)C=Cc1cccc(c1)S(=O)(=O)Cl
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
274.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.715g/mol
Monoisotopic Mass:
274.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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