2-Benzoyl-5-norbornene,mixture of endo and exo
Product Information
Molecular Formula
C14H14O
Molecular Weight
198.26
Description
2-Benzoyl-5-norbornene,mixture of endo and exo (CAS# 6056-35-5 ) is a useful research chemical.
Synonyms
2-bicyclo[2.2.1]hept-5-enyl(phenyl)methanone
IUPAC Name
2-bicyclo[2.2.1]hept-5-enyl(phenyl)methanone
SMILES
C1C2CC(C1C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H14O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2
InChI Key
RMHYEJKELLBHSV-UHFFFAOYSA-N
Boiling Point
122-124 °C / 2 mmHg (lit.)
Flash Point
235.4 °CF
Purity
97 %
Density
1.115 g/mL at 25 °C (lit.)
Refractive Index
n20/D 1.568 (lit.)
LogP
3.08150
Computed Properties
XLogP3
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
198.104465066 g/mol
Monoisotopic Mass
198.104465066 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
286
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
