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29730-06-1 | Cyclohexanol, 1-[(1-hydroperoxymethylcyclohexyl)dioxy]methyl- (8CI,9CI)
CAS No: 29730-06-1 Catalog No: AG002Z8M MDL No:
Product Description
Catalog Number:
AG002Z8M
Chemical Name:
Cyclohexanol, 1-[(1-hydroperoxymethylcyclohexyl)dioxy]methyl- (8CI,9CI)
CAS Number:
29730-06-1
Molecular Formula:
C14H26O5
Molecular Weight:
274.3532
IUPAC Name:
1-[[1-(hydroperoxymethyl)cyclohexyl]peroxymethyl]cyclohexan-1-ol
InChI:
InChI=1S/C14H26O5/c15-13(7-3-1-4-8-13)11-18-19-14(12-17-16)9-5-2-6-10-14/h15-16H,1-12H2
InChI Key:
PVLRGQZYXRZWFY-UHFFFAOYSA-N
SMILES:
OOCC1(CCCCC1)OOCC1(O)CCCCC1
EC Number:
249-816-0
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.357g/mol
Monoisotopic Mass:
274.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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