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117407-87-1 | Nonanoic acid, 9-[(methylsulfonyl)oxy]-, methyl ester
CAS No: 117407-87-1 Catalog No: AG000EA4 MDL No:
Product Description
Catalog Number:
AG000EA4
Chemical Name:
Nonanoic acid, 9-[(methylsulfonyl)oxy]-, methyl ester
CAS Number:
117407-87-1
Molecular Formula:
C11H22O5S
Molecular Weight:
266.3544
IUPAC Name:
methyl 9-methylsulfonyloxynonanoate
InChI:
InChI=1S/C11H22O5S/c1-15-11(12)9-7-5-3-4-6-8-10-16-17(2,13)14/h3-10H2,1-2H3
InChI Key:
VPAGOPJNXHHESG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCOS(=O)(=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.352g/mol
Monoisotopic Mass:
266.119g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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