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Home > Other Heterocycles > 89276-37-9
89276-37-9 | 2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-
CAS No: 89276-37-9 Catalog No: AG00416S MDL No:
Product Description
Catalog Number:
AG00416S
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-
CAS Number:
89276-37-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
4-methyl-1-pent-4-ynyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C11H16O3/c1-3-4-5-6-11-12-7-10(2,8-13-11)9-14-11/h1H,4-9H2,2H3
InChI Key:
WJMFTNWXQISGTA-UHFFFAOYSA-N
SMILES:
C#CCCCC12OCC(CO1)(CO2)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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