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828276-74-0 | Butanoic acid, 3-hydroxy-4-[(methylsulfonyl)oxy]-, 1-methylpropyl ester
CAS No: 828276-74-0 Catalog No: AG004WY8 MDL No:
Product Description
Catalog Number:
AG004WY8
Chemical Name:
Butanoic acid, 3-hydroxy-4-[(methylsulfonyl)oxy]-, 1-methylpropyl ester
CAS Number:
828276-74-0
Molecular Formula:
C9H18O6S
Molecular Weight:
254.3006
IUPAC Name:
butan-2-yl 3-hydroxy-4-methylsulfonyloxybutanoate
InChI:
InChI=1S/C9H18O6S/c1-4-7(2)15-9(11)5-8(10)6-14-16(3,12)13/h7-8,10H,4-6H2,1-3H3
InChI Key:
DLQOEOIQXXZQIJ-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)CC(COS(=O)(=O)C)O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.297g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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