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Home > Other Heterocycles > 1955524-44-3
1955524-44-3 | 1-ethynyl-3-phenylbicyclo[1.1.1]pentane
CAS No: 1955524-44-3 Catalog No: AG01C5F0 MDL No:MFCD29763394
Product Description
Catalog Number:
AG01C5F0
Chemical Name:
1-ethynyl-3-phenylbicyclo[1.1.1]pentane
CAS Number:
1955524-44-3
Molecular Formula:
C13H12
Molecular Weight:
168.2344
MDL Number:
MFCD29763394
IUPAC Name:
1-ethynyl-3-phenylbicyclo[1.1.1]pentane
InChI:
InChI=1S/C13H12/c1-2-12-8-13(9-12,10-12)11-6-4-3-5-7-11/h1,3-7H,8-10H2
InChI Key:
CQWMDFFCNWAQJS-UHFFFAOYSA-N
SMILES:
C#CC12CC(C1)(C2)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.239g/mol
Monoisotopic Mass:
168.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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