3-Acetylnoradamantane supplier

Name
3-Acetylnoradamantane
EINECS
CAS No. 29844-80-2
Article Data8
CAS DataBase
Density 1.044 g/mL at 25 °C(lit.)
Solubility
Melting Point
Formula C₁₁H₁₆O
Boiling Point 212 °C(lit.)
Molecular Weight 164.24
Flash Point 215 °F
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(octahydro-2,5-methanopentalen-1-yl)ethanone;
PSA 17.07000
LogP 2.40170

3-Acetylnoradamantane Specification

The 3-Acetylnoradamantane with cas registry number of 29844-80-2, has the systematic name of 1-(octahydro-2,5-methanopentalen-1-yl)ethanone. And it is also named 1-(Octahydro-2,5-methanopentalen-1-yl)ethanone. Its refractive index is 1.502.

Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.45; (6)ACD/BCF (pH 7.4): 26.45; (7)ACD/KOC (pH 5.5): 362.92; (8)ACD/KOC (pH 7.4): 362.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 46.81 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 18.55×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Enthalpy of Vaporization: 48.85 kJ/mol; (19)Vapour Pressure: 0.0207 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C3C1CC2CC(C1)C3C2;
(2)InChI: InChI=1/C11H16O/c1-6(12)11-9-3-7-2-8(5-9)10(11)4-7/h7-11H,2-5H2,1H3;
(3)InChIKey: MUARYPDSOOLBNJ-UHFFFAOYAW;
(4)Std. InChI: InChI=1S/C11H16O/c1-6(12)11-9-3-7-2-8(5-9)10(11)4-7/h7-11H,2-5H2,1H3;
(5)Std. InChIKey: MUARYPDSOOLBNJ-UHFFFAOYSA-N

Product Name

3-Acetylnoradamantane

3-Acetylnoradamantane Specification

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