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Home > Other Building Blocks > 141561-97-9
141561-97-9 | 1,4-Cyclohexanediol, 1,4-bis(hydroperoxy)-
CAS No: 141561-97-9 Catalog No: AG001GLF MDL No:
Product Description
Catalog Number:
AG001GLF
Chemical Name:
1,4-Cyclohexanediol, 1,4-bis(hydroperoxy)-
CAS Number:
141561-97-9
Molecular Formula:
C6H12O6
Molecular Weight:
180.1559
IUPAC Name:
1,4-dihydroperoxycyclohexane-1,4-diol
InChI:
InChI=1S/C6H12O6/c7-5(11-9)1-2-6(8,12-10)4-3-5/h7-10H,1-4H2
InChI Key:
WIEZPBWPZXXZBM-UHFFFAOYSA-N
SMILES:
OOC1(O)CCC(CC1)(O)OO
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
180.156g/mol
Monoisotopic Mass:
180.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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