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Home > Other Heterocycles > 192931-13-8
192931-13-8 | Bicyclo[2.2.1]heptane, 2,3-bis(phenylmethylene)-, (E,E)-
CAS No: 192931-13-8 Catalog No: AG0073JH MDL No:
Product Description
Catalog Number:
AG0073JH
Chemical Name:
Bicyclo[2.2.1]heptane, 2,3-bis(phenylmethylene)-, (E,E)-
CAS Number:
192931-13-8
Molecular Formula:
C21H20
Molecular Weight:
272.3835
IUPAC Name:
2,3-dibenzylidenebicyclo[2.2.1]heptane
InChI:
InChI=1S/C21H20/c1-3-7-16(8-4-1)13-20-18-11-12-19(15-18)21(20)14-17-9-5-2-6-10-17/h1-10,13-14,18-19H,11-12,15H2
InChI Key:
FQYFPMOPMWYWQY-UHFFFAOYSA-N
SMILES:
C1CC2CC1/C(=C\c1ccccc1)/C/2=C/c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.391g/mol
Monoisotopic Mass:
272.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Pi-stacking interactions in some crystalline cisoid E,E-1,4-diaryl-1,3-butadienes. | Chemical communications (Cambridge, England) 20030807 |
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