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830345-55-6 | Hydroperoxide, 1-methyl-1-(tetrahydro-4,4-dimethyl-3-furanyl)ethyl
CAS No: 830345-55-6 Catalog No: AG004XI5 MDL No:
Product Description
Catalog Number:
AG004XI5
Chemical Name:
Hydroperoxide, 1-methyl-1-(tetrahydro-4,4-dimethyl-3-furanyl)ethyl
CAS Number:
830345-55-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
4-(2-hydroperoxypropan-2-yl)-3,3-dimethyloxolane
InChI:
InChI=1S/C9H18O3/c1-8(2)6-11-5-7(8)9(3,4)12-10/h7,10H,5-6H2,1-4H3
InChI Key:
XSVFMYSNUXOKSZ-UHFFFAOYSA-N
SMILES:
OOC(C1COCC1(C)C)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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