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Home > Other Heterocycles > 70637-03-5
70637-03-5 | 4-phenyl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
CAS No: 70637-03-5 Catalog No: AG005TGZ MDL No:
Product Description
Catalog Number:
AG005TGZ
Chemical Name:
4-phenyl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
CAS Number:
70637-03-5
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
1-phenyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C14H18O3/c1-2-8-13-9-15-14(16-10-13,17-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key:
PPVVLQQOTAKGFG-UHFFFAOYSA-N
SMILES:
CCCC12COC(OC1)(OC2)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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