Verbenol - CAS 473-67-6
Catalog: |
BB054589 |
Product Name: |
Verbenol |
CAS: |
473-67-6 |
Synonyms: |
Berbenol; d-Verbenol; (E)-verbenol; Pinen-4-ol; 4-Hydroxy-2,6,6-trimethylbicyclo(3.1.1)hept-2-ene |
IUPAC Name: | 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
Molecular Weight: | 152.23 |
Molecular Formula: | C10H16O |
Canonical SMILES: | CC1=CC(C2CC1C2(C)C)O |
InChI: | InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3 |
InChI Key: | WONIGEXYPVIKFS-UHFFFAOYSA-N |
Boiling Point: | 216-218 °C at 760 mmHg |
Melting Point: | 24°C |
Flash Point: | 85°C |
Density: | 0.9778-0.9877 g/cm3 |
Solubility: | water, 480.4 mg/L @ 25 °C (est) |
Appearance: | White crystals |
LogP: | 2.554 (est) |
Refractive Index: | 1.489 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.12011513 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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