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102574-82-3 | Hydroperoxide, 4-cycloocten-1-yl (9CI)
CAS No: 102574-82-3 Catalog No: AG0007T7 MDL No:
Product Description
Catalog Number:
AG0007T7
Chemical Name:
Hydroperoxide, 4-cycloocten-1-yl (9CI)
CAS Number:
102574-82-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
5-hydroperoxycyclooctene
InChI:
InChI=1S/C8H14O2/c9-10-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2
InChI Key:
VHVDGMUGOCTNMX-UHFFFAOYSA-N
SMILES:
OOC1CCCC=CCC1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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