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Home > Other Heterocycles > 17989-95-6
17989-95-6 | Bicyclo[2.2.1]heptane, 2-phenyl-, (1R,2R,4S)-rel-
CAS No: 17989-95-6 Catalog No: AG0027C1 MDL No:
Product Description
Catalog Number:
AG0027C1
Chemical Name:
Bicyclo[2.2.1]heptane, 2-phenyl-, (1R,2R,4S)-rel-
CAS Number:
17989-95-6
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
2-phenylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H16/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2
InChI Key:
FPSNRVOJKUSUFQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[C@@H]1C[C@@H]2C[C@H]1CC2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Value of zeolites in asymmetric induction during photocyclization of pyridones, cyclohexadienones and naphthalenones. | Organic & biomolecular chemistry 20070521 |
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