BCN-OH - CAS 1263166-90-0
Catalog:
BB054510
Product Name:
BCN-OH
CAS:
1263166-90-0
Synonyms:
(1alpha,8alpha,9beta)-Bicyclo[6.1.0]non-4-yn-9-ylmethanol; Rel-((1R,8S,9r)-bicyclo[6.1.0]non-4-yn-9-yl)methanol
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BB054510
1 g
$998
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IUPAC Name: [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methanol
Description: BCN-OH is an alcohol functionalized cyclooctyne derivative.
Molecular Weight: 150.22
Molecular Formula: C10H14O
Canonical SMILES: C1CC2C(C2CO)CCC#C1
InChI: InChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,3-7H2/t8-,9+,10?
InChI Key: NSVXZMGWYBICRW-ULKQDVFKSA-N
Boiling Point: 256.5±9.0 °C at 760 mmHg
Melting Point: 64°C
Purity: 98%
Density: 1.08±0.1 g/cm3
Appearance: White to Orange to Green Powder
Complexity: 189
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Exact Mass: 150.104465066
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 150.104465066
Rotatable Bond Count: 1
Topological Polar Surface Area: 20.2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.9
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