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Home > Other Heterocycles > 81980-02-1
81980-02-1 | 3-Oxabicyclo[4.1.0]heptan-2-one, 7,7-dimethyl-4-phenyl-
CAS No: 81980-02-1 Catalog No: AG004ZTA MDL No:
Product Description
Catalog Number:
AG004ZTA
Chemical Name:
3-Oxabicyclo[4.1.0]heptan-2-one, 7,7-dimethyl-4-phenyl-
CAS Number:
81980-02-1
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
7,7-dimethyl-4-phenyl-3-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C14H16O2/c1-14(2)10-8-11(16-13(15)12(10)14)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3
InChI Key:
SSZSXKYQFDJMMY-UHFFFAOYSA-N
SMILES:
O=C1OC(CC2C1C2(C)C)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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