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Home > Other Heterocycles > 94123-06-5
94123-06-5 | Bicyclo[2.2.1]heptane, 2-(phenylethynyl)-3-(2-propenyl)-
CAS No: 94123-06-5 Catalog No: AG0067I0 MDL No:
Product Description
Catalog Number:
AG0067I0
Chemical Name:
Bicyclo[2.2.1]heptane, 2-(phenylethynyl)-3-(2-propenyl)-
CAS Number:
94123-06-5
Molecular Formula:
C18H20
Molecular Weight:
236.3514
IUPAC Name:
2-(2-phenylethynyl)-3-prop-2-enylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C18H20/c1-2-6-17-15-10-11-16(13-15)18(17)12-9-14-7-4-3-5-8-14/h2-5,7-8,15-18H,1,6,10-11,13H2
InChI Key:
XSCRAAUJAOXIJH-UHFFFAOYSA-N
SMILES:
C=CCC1C2CCC(C1C#Cc1ccccc1)C2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.358g/mol
Monoisotopic Mass:
236.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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