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140860-74-8 | Hydroperoxide, 1-methyl-1-(phenylmethyl)propyl (9CI)
CAS No: 140860-74-8 Catalog No: AG001CXK MDL No:
Product Description
Catalog Number:
AG001CXK
Chemical Name:
Hydroperoxide, 1-methyl-1-(phenylmethyl)propyl (9CI)
CAS Number:
140860-74-8
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
(2-hydroperoxy-2-methylbutyl)benzene
InChI:
InChI=1S/C11H16O2/c1-3-11(2,13-12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3
InChI Key:
FKNGBRDEEADKNY-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)(OO)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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