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Home > Other Heterocycles > 89858-93-5
89858-93-5 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-phenyl-
CAS No: 89858-93-5 Catalog No: AG003X2K MDL No:
Product Description
Catalog Number:
AG003X2K
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-phenyl-
CAS Number:
89858-93-5
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C13H12O2/c14-10-6-11-8-12(13(7-10)15-11)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2
InChI Key:
BZHLVALCHWUVEH-UHFFFAOYSA-N
SMILES:
O=C1CC2OC(C1)C=C2c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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