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188743-64-8 | 1-Hexanol, 6-hydroperoxy-
CAS No: 188743-64-8 Catalog No: AG002H8G MDL No:
Product Description
Catalog Number:
AG002H8G
Chemical Name:
1-Hexanol, 6-hydroperoxy-
CAS Number:
188743-64-8
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
IUPAC Name:
6-hydroperoxyhexan-1-ol
InChI:
InChI=1S/C6H14O3/c7-5-3-1-2-4-6-9-8/h7-8H,1-6H2
InChI Key:
QMHUASZUHHYTFB-UHFFFAOYSA-N
SMILES:
OCCCCCCOO
Properties
Complexity:
47.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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