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Home > Other Heterocycles > 1823936-00-0
1823936-00-0 | 1-(3-Ethynylphenyl)bicyclo[1.1.1]pentane
CAS No: 1823936-00-0 Catalog No: AG01FHBB MDL No:
Product Description
Catalog Number:
AG01FHBB
Chemical Name:
1-(3-Ethynylphenyl)bicyclo[1.1.1]pentane
CAS Number:
1823936-00-0
IUPAC Name:
1-(3-ethynylphenyl)bicyclo[1.1.1]pentane
InChI:
InChI=1S/C13H12/c1-2-10-4-3-5-12(6-10)13-7-11(8-13)9-13/h1,3-6,11H,7-9H2
InChI Key:
WJJMYFUKQFZWNJ-UHFFFAOYSA-N
Properties
Complexity:
250
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:
3.7
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