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27760-95-8 | 2-Propanol, 1-[(1,1-dimethylethyl)dioxy]-
CAS No: 27760-95-8 Catalog No: AG002UOU MDL No:
Product Description
Catalog Number:
AG002UOU
Chemical Name:
2-Propanol, 1-[(1,1-dimethylethyl)dioxy]-
CAS Number:
27760-95-8
Molecular Formula:
C7H16O3
Molecular Weight:
148.2001
IUPAC Name:
1-tert-butylperoxypropan-2-ol
InChI:
InChI=1S/C7H16O3/c1-6(8)5-9-10-7(2,3)4/h6,8H,5H2,1-4H3
InChI Key:
WGIABSKYOYXJQG-UHFFFAOYSA-N
SMILES:
CC(COOC(C)(C)C)O
Properties
Complexity:
85.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.202g/mol
Monoisotopic Mass:
148.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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