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147964-53-2 | Hexaneperoxoic acid, 3,3,5-trimethyl-, 1,1-dimethylethyl ester
CAS No: 147964-53-2 Catalog No: AG001FBY MDL No:
Product Description
Catalog Number:
AG001FBY
Chemical Name:
Hexaneperoxoic acid, 3,3,5-trimethyl-, 1,1-dimethylethyl ester
CAS Number:
147964-53-2
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
tert-butyl 3,3,5-trimethylhexaneperoxoate
InChI:
InChI=1S/C13H26O3/c1-10(2)8-13(6,7)9-11(14)15-16-12(3,4)5/h10H,8-9H2,1-7H3
InChI Key:
GANMIDZRIBYWGY-UHFFFAOYSA-N
SMILES:
CC(CC(CC(=O)OOC(C)(C)C)(C)C)C
UNII:
2SW881423G
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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