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Home > Other Heterocycles > 71121-93-2
71121-93-2 | 2,3,7-Trioxabicyclo[2.2.1]heptane, 1,4-diphenyl-
CAS No: 71121-93-2 Catalog No: AG005XCJ MDL No:
Product Description
Catalog Number:
AG005XCJ
Chemical Name:
2,3,7-Trioxabicyclo[2.2.1]heptane, 1,4-diphenyl-
CAS Number:
71121-93-2
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C16H14O3/c1-3-7-13(8-4-1)15-11-12-16(17-15,19-18-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
BYIABZCENGDXMN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCC(O2)(OO1)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/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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