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Home > Other Heterocycles > 84302-20-5
84302-20-5 | Ethanone, 1-(1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)-
CAS No: 84302-20-5 Catalog No: AG004THR MDL No:
Product Description
Catalog Number:
AG004THR
Chemical Name:
Ethanone, 1-(1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)-
CAS Number:
84302-20-5
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
1-(1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)ethanone
InChI:
InChI=1S/C18H14O4/c1-13(19)16-12-17(14-8-4-2-5-9-14)20-18(16,22-21-17)15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
GRVBBKNCLSUJDC-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CC2(OC1(OO2)c1ccccc1)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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