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88973-33-5 | Propanedioic acid, [(methylsulfonyl)oxy]-, diethyl ester
CAS No: 88973-33-5 Catalog No: AG0045BR MDL No:
Product Description
Catalog Number:
AG0045BR
Chemical Name:
Propanedioic acid, [(methylsulfonyl)oxy]-, diethyl ester
CAS Number:
88973-33-5
Molecular Formula:
C8H14O7S
Molecular Weight:
254.2576
IUPAC Name:
diethyl 2-methylsulfonyloxypropanedioate
InChI:
InChI=1S/C8H14O7S/c1-4-13-7(9)6(8(10)14-5-2)15-16(3,11)12/h6H,4-5H2,1-3H3
InChI Key:
UIGVADXGXAGTJN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)OS(=O)(=O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.253g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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