Bicyclo[6.1.0]non-4-yn-9-ylmethanol - CAS 1379662-52-8
Catalog: |
BB054511 |
Product Name: |
Bicyclo[6.1.0]non-4-yn-9-ylmethanol |
CAS: |
1379662-52-8 |
Synonyms: |
endo BCN-OH; (1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethanol |
IUPAC Name: | 9-bicyclo[6.1.0]non-4-ynylmethanol |
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 |
InChI Key: | NSVXZMGWYBICRW-UHFFFAOYSA-N |
Boiling Point: | 256.5±9.0 °C at 760 mmHg |
Density: | 1.08±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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