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999-80-4 | Hydroperoxide, 2,2-dimethylpropyl
CAS No: 999-80-4 Catalog No: AG003VI6 MDL No:
Product Description
Catalog Number:
AG003VI6
Chemical Name:
Hydroperoxide, 2,2-dimethylpropyl
CAS Number:
999-80-4
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
IUPAC Name:
1-hydroperoxy-2,2-dimethylpropane
InChI:
InChI=1S/C5H12O2/c1-5(2,3)4-7-6/h6H,4H2,1-3H3
InChI Key:
UEQURRFROJBOLG-UHFFFAOYSA-N
SMILES:
OOCC(C)(C)C
Properties
Complexity:
44.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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