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827026-49-3 | 1,6-Octadien-3-ol, 5-hydroperoxy-3,7-dimethyl-
CAS No: 827026-49-3 Catalog No: AG0051OD MDL No:
Product Description
Catalog Number:
AG0051OD
Chemical Name:
1,6-Octadien-3-ol, 5-hydroperoxy-3,7-dimethyl-
CAS Number:
827026-49-3
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
5-hydroperoxy-3,7-dimethylocta-1,6-dien-3-ol
InChI:
InChI=1S/C10H18O3/c1-5-10(4,11)7-9(13-12)6-8(2)3/h5-6,9,11-12H,1,7H2,2-4H3
InChI Key:
KKLGHOPDDLWGAU-UHFFFAOYSA-N
SMILES:
OOC(CC(C=C)(O)C)C=C(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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