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Home > Other Heterocycles > 88018-68-2
88018-68-2 | Bicyclo[6.2.1]undec-4-yne
CAS No: 88018-68-2 Catalog No: AG004NP1 MDL No:
Product Description
Catalog Number:
AG004NP1
Chemical Name:
Bicyclo[6.2.1]undec-4-yne
CAS Number:
88018-68-2
Molecular Formula:
C11H16
Molecular Weight:
148.2447
IUPAC Name:
bicyclo[6.2.1]undec-4-yne
InChI:
InChI=1S/C11H16/c1-2-4-6-11-8-7-10(9-11)5-3-1/h10-11H,3-9H2
InChI Key:
SCMZNFDRJUSCBB-UHFFFAOYSA-N
SMILES:
C1C#CCCC2CC(C1)CC2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.125g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.249g/mol
Monoisotopic Mass:
148.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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