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882-59-7 | Oxirane, 2,2-diphenyl-
CAS No: 882-59-7 Catalog No: AG004CBR MDL No:MFCD00040725
Product Description
Catalog Number:
AG004CBR
Chemical Name:
Oxirane, 2,2-diphenyl-
CAS Number:
882-59-7
Molecular Formula:
C14H12O
Molecular Weight:
196.2445
MDL Number:
MFCD00040725
IUPAC Name:
2,2-diphenyloxirane
InChI:
InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
PRLJMHVNHLTQJJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(OC1)c1ccccc1
EC Number:
212-929-0
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.249g/mol
Monoisotopic Mass:
196.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Mechanism of electrocyclic ring-opening of diphenyloxirane: 40 years after Woodward and Hoffmann. | Chemistry (Weinheim an der Bergstrasse, Germany) 20091019 |
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