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Home > Other Heterocycles > 127867-25-8
127867-25-8 | Bicyclo[1.1.1]pentane, 1-ethynyl-
CAS No: 127867-25-8 Catalog No: AG000XHR MDL No:
Product Description
Catalog Number:
AG000XHR
Chemical Name:
Bicyclo[1.1.1]pentane, 1-ethynyl-
CAS Number:
127867-25-8
Molecular Formula:
C7H8
Molecular Weight:
92.1384
IUPAC Name:
1-ethynylbicyclo[1.1.1]pentane
InChI:
InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2
InChI Key:
KRVQVJPCFVMTHR-UHFFFAOYSA-N
SMILES:
C#CC12CC(C1)C2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
92.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
92.141g/mol
Monoisotopic Mass:
92.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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