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Home > Other Heterocycles > 84302-18-1
84302-18-1 | 2,3,7-Trioxabicyclo[2.2.1]hept-5-ene, 5-methyl-1,4-diphenyl-
CAS No: 84302-18-1 Catalog No: AG004XYL MDL No:
Product Description
Catalog Number:
AG004XYL
Chemical Name:
2,3,7-Trioxabicyclo[2.2.1]hept-5-ene, 5-methyl-1,4-diphenyl-
CAS Number:
84302-18-1
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
5-methyl-1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C17H14O3/c1-13-12-16(14-8-4-2-5-9-14)18-17(13,20-19-16)15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
PQJXUXUPMSCANM-UHFFFAOYSA-N
SMILES:
CC1=CC2(OC1(OO2)c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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