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17393-39-4 | 1-Propanol, 2-[(1,1-dimethylethyl)dioxy]-2-methyl-
CAS No: 17393-39-4 Catalog No: AG001ZBE MDL No:
Product Description
Catalog Number:
AG001ZBE
Chemical Name:
1-Propanol, 2-[(1,1-dimethylethyl)dioxy]-2-methyl-
CAS Number:
17393-39-4
Molecular Formula:
C8H18O3
Molecular Weight:
162.2267
IUPAC Name:
2-tert-butylperoxy-2-methylpropan-1-ol
InChI:
InChI=1S/C8H18O3/c1-7(2,3)10-11-8(4,5)6-9/h9H,6H2,1-5H3
InChI Key:
QUQMOVLOALQECF-UHFFFAOYSA-N
SMILES:
OCC(OOC(C)(C)C)(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.229g/mol
Monoisotopic Mass:
162.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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