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114573-51-2 | Cyclohexanol, hydroperoxy- (9CI)
CAS No: 114573-51-2 Catalog No: AG000EQJ MDL No:
Product Description
Catalog Number:
AG000EQJ
Chemical Name:
Cyclohexanol, hydroperoxy- (9CI)
CAS Number:
114573-51-2
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
1-hydroperoxycyclohexan-1-ol
InChI:
InChI=1S/C6H12O3/c7-6(9-8)4-2-1-3-5-6/h7-8H,1-5H2
InChI Key:
KBTYSDMXRXDGGC-UHFFFAOYSA-N
SMILES:
OOC1(O)CCCCC1
Properties
Complexity:
86.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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