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740811-25-0 | 3-Cyclohexen-1-ol, 5-hydroperoxy-4-methyl-1-(1-methylethyl)-
CAS No: 740811-25-0 Catalog No: AG005HM8 MDL No:
Product Description
Catalog Number:
AG005HM8
Chemical Name:
3-Cyclohexen-1-ol, 5-hydroperoxy-4-methyl-1-(1-methylethyl)-
CAS Number:
740811-25-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
5-hydroperoxy-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
InChI:
InChI=1S/C10H18O3/c1-7(2)10(11)5-4-8(3)9(6-10)13-12/h4,7,9,11-12H,5-6H2,1-3H3
InChI Key:
KOHARZPSOHZTIT-UHFFFAOYSA-N
SMILES:
OOC1CC(O)(CC=C1C)C(C)C
Properties
Complexity:
210
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:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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