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138347-48-5 | 2-Hexanone, 4-ethyl-3-hydroperoxy-5,5-dimethyl-
CAS No: 138347-48-5 Catalog No: AG0018L5 MDL No:
Product Description
Catalog Number:
AG0018L5
Chemical Name:
2-Hexanone, 4-ethyl-3-hydroperoxy-5,5-dimethyl-
CAS Number:
138347-48-5
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
4-ethyl-3-hydroperoxy-5,5-dimethylhexan-2-one
InChI:
InChI=1S/C10H20O3/c1-6-8(10(3,4)5)9(13-12)7(2)11/h8-9,12H,6H2,1-5H3
InChI Key:
ORINFNVMIOYRCB-UHFFFAOYSA-N
SMILES:
CCC(C(C)(C)C)C(C(=O)C)OO
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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