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102547-71-7 | 2-Butenoic acid, 4-[(methylsulfonyl)oxy]-, ethyl ester
CAS No: 102547-71-7 Catalog No: AG0007P3 MDL No:
Product Description
Catalog Number:
AG0007P3
Chemical Name:
2-Butenoic acid, 4-[(methylsulfonyl)oxy]-, ethyl ester
CAS Number:
102547-71-7
Molecular Formula:
C7H12O5S
Molecular Weight:
208.2322
IUPAC Name:
ethyl 4-methylsulfonyloxybut-2-enoate
InChI:
InChI=1S/C7H12O5S/c1-3-11-7(8)5-4-6-12-13(2,9)10/h4-5H,3,6H2,1-2H3
InChI Key:
UUFRTUDCQNJDSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CCOS(=O)(=O)C
Properties
Complexity:
272
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:
0
Isotope Atom Count:
0
Molecular Weight:
208.228g/mol
Monoisotopic Mass:
208.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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