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140858-78-2 | Propanoic acid, 3-(ethenylsulfonyl)-, 2-hydroxyethyl ester
CAS No: 140858-78-2 Catalog No: AG001CWF MDL No:
Product Description
Catalog Number:
AG001CWF
Chemical Name:
Propanoic acid, 3-(ethenylsulfonyl)-, 2-hydroxyethyl ester
CAS Number:
140858-78-2
Molecular Formula:
C7H12O5S
Molecular Weight:
208.2322
IUPAC Name:
2-hydroxyethyl 3-ethenylsulfonylpropanoate
InChI:
InChI=1S/C7H12O5S/c1-2-13(10,11)6-3-7(9)12-5-4-8/h2,8H,1,3-6H2
InChI Key:
CENMNTFUULYZOV-UHFFFAOYSA-N
SMILES:
OCCOC(=O)CCS(=O)(=O)C=C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.228g/mol
Monoisotopic Mass:
208.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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