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179249-43-5 | Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
CAS No: 179249-43-5 Catalog No: AG0026WC MDL No:
Product Description
Catalog Number:
AG0026WC
Chemical Name:
Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
CAS Number:
179249-43-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
3-hydroperoxy-1-propan-2-ylcyclohexene
InChI:
InChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(6-8)11-10/h6-7,9-10H,3-5H2,1-2H3
InChI Key:
QQTXERCLWKUTKH-UHFFFAOYSA-N
SMILES:
OOC1CCCC(=C1)C(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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