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Home > Other Heterocycles > 91548-48-0
91548-48-0 | 6-(4-METHYLPHENYL)-6-PHENYL-2,7-DIOXABICYCLO[3.2.0]HEPT-3-ENE
CAS No: 91548-48-0 Catalog No: AG00696H MDL No:
Product Description
Catalog Number:
AG00696H
Chemical Name:
6-(4-METHYLPHENYL)-6-PHENYL-2,7-DIOXABICYCLO[3.2.0]HEPT-3-ENE
CAS Number:
91548-48-0
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
6-(4-methylphenyl)-6-phenyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
InChI:
InChI=1S/C18H16O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)16-11-12-19-17(16)20-18/h2-12,16-17H,1H3
InChI Key:
IKZQQMRJOBQRKS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(OC2C1C=CO2)c1ccccc1
NSC Number:
369776
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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