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828276-70-6 | Butanoic acid, 3-hydroxy-4-[(methylsulfonyl)oxy]-, ethyl ester
CAS No: 828276-70-6 Catalog No: AG004WYA MDL No:
Product Description
Catalog Number:
AG004WYA
Chemical Name:
Butanoic acid, 3-hydroxy-4-[(methylsulfonyl)oxy]-, ethyl ester
CAS Number:
828276-70-6
Molecular Formula:
C7H14O6S
Molecular Weight:
226.2475
IUPAC Name:
ethyl 3-hydroxy-4-methylsulfonyloxybutanoate
InChI:
InChI=1S/C7H14O6S/c1-3-12-7(9)4-6(8)5-13-14(2,10)11/h6,8H,3-5H2,1-2H3
InChI Key:
YJKXLYBYKVQXDF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(COS(=O)(=O)C)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.243g/mol
Monoisotopic Mass:
226.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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