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112810-00-1 | Ethyl (propane-2-sulfonyl)-acetate
CAS No: 112810-00-1 Catalog No: AG01FE1U MDL No:MFCD12801114
Product Description
Catalog Number:
AG01FE1U
Chemical Name:
Ethyl (propane-2-sulfonyl)-acetate
CAS Number:
112810-00-1
Molecular Formula:
C7H14O4S
Molecular Weight:
194.2487
MDL Number:
MFCD12801114
IUPAC Name:
ethyl 2-propan-2-ylsulfonylacetate
InChI:
InChI=1S/C7H14O4S/c1-4-11-7(8)5-12(9,10)6(2)3/h6H,4-5H2,1-3H3
InChI Key:
IAEPMZWGBVWBFO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CS(=O)(=O)C(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.245g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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