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89122-01-0 | Hydroperoxide, 1-methyl-4-pentenyl
CAS No: 89122-01-0 Catalog No: AG003Z5C MDL No:
Product Description
Catalog Number:
AG003Z5C
Chemical Name:
Hydroperoxide, 1-methyl-4-pentenyl
CAS Number:
89122-01-0
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
5-hydroperoxyhex-1-ene
InChI:
InChI=1S/C6H12O2/c1-3-4-5-6(2)8-7/h3,6-7H,1,4-5H2,2H3
InChI Key:
PHHVJXOIPJKYTO-UHFFFAOYSA-N
SMILES:
CC(OO)CCC=C
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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