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921755-19-3 | Acetic acid, 2-[(4-methylpentyl)sulfonyl]-, ethyl ester
CAS No: 921755-19-3 Catalog No: AG006GPY MDL No:
Product Description
Catalog Number:
AG006GPY
Chemical Name:
Acetic acid, 2-[(4-methylpentyl)sulfonyl]-, ethyl ester
CAS Number:
921755-19-3
Molecular Formula:
C10H20O4S
Molecular Weight:
236.3284
IUPAC Name:
ethyl 2-(4-methylpentylsulfonyl)acetate
InChI:
InChI=1S/C10H20O4S/c1-4-14-10(11)8-15(12,13)7-5-6-9(2)3/h9H,4-8H2,1-3H3
InChI Key:
ZQAMBWNFDWQFDF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CS(=O)(=O)CCCC(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.326g/mol
Monoisotopic Mass:
236.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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