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70636-97-4 | 2,6,7-Trioxabicyclo[2.2.2]octane,1-butyl-4-propyl-
CAS No: 70636-97-4 Catalog No: AG005H7G MDL No:
Product Description
Catalog Number:
AG005H7G
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,1-butyl-4-propyl-
CAS Number:
70636-97-4
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
1-butyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C12H22O3/c1-3-5-7-12-13-8-11(6-4-2,9-14-12)10-15-12/h3-10H2,1-2H3
InChI Key:
KSNOATJQGRPSAK-UHFFFAOYSA-N
SMILES:
CCCCC12OCC(CO1)(CO2)CCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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