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70636-88-3 | 2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-1-methyl-
CAS No: 70636-88-3 Catalog No: AG005TH2 MDL No:
Product Description
Catalog Number:
AG005TH2
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-1-methyl-
CAS Number:
70636-88-3
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
4-tert-butyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C10H18O3/c1-8(2,3)10-5-11-9(4,12-6-10)13-7-10/h5-7H2,1-4H3
InChI Key:
RFOOWUVDJFJZDN-UHFFFAOYSA-N
SMILES:
CC12OCC(CO1)(CO2)C(C)(C)C
Properties
Complexity:
192
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:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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