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113828-49-2 | 2(3H)-Furanone, 5-[[(1,1-dimethylethyl)dioxy]methyl]dihydro-
CAS No: 113828-49-2 Catalog No: AG0009T8 MDL No:
Product Description
Catalog Number:
AG0009T8
Chemical Name:
2(3H)-Furanone, 5-[[(1,1-dimethylethyl)dioxy]methyl]dihydro-
CAS Number:
113828-49-2
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
5-(tert-butylperoxymethyl)oxolan-2-one
InChI:
InChI=1S/C9H16O4/c1-9(2,3)13-11-6-7-4-5-8(10)12-7/h7H,4-6H2,1-3H3
InChI Key:
ZEAAAZSWYRVZRS-UHFFFAOYSA-N
SMILES:
CC(OOCC1CCC(=O)O1)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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