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70636-94-1 | 2,6,7-Trioxabicyclo[2.2.2]octane,4-(1-methylethyl)-1-propyl-
CAS No: 70636-94-1 Catalog No: AG005TH1 MDL No:
Product Description
Catalog Number:
AG005TH1
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,4-(1-methylethyl)-1-propyl-
CAS Number:
70636-94-1
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
4-propan-2-yl-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C11H20O3/c1-4-5-11-12-6-10(7-13-11,8-14-11)9(2)3/h9H,4-8H2,1-3H3
InChI Key:
LUMBOKJJSSIFGR-UHFFFAOYSA-N
SMILES:
CCCC12OCC(CO1)(CO2)C(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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