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endo-2-Acetyl-5-norbornene

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Name

endo-2-Acetyl-5-norbornene

EINECS N/A
CAS No. 824-60-2 Density 1.05g/cm3
PSA 17.07000 LogP 1.78760
Solubility N/A Melting Point N/A
Formula C9H12O Boiling Point 191.458 °C at 760 mmHg
Molecular Weight 136.194 Flash Point 61.667 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 824-60-2 (endo-2-Acetylbicyclo[2.2.1]hept-5-ene) Hazard Symbols N/A
Synonyms

endo-2-Acetylbicyclo[2.2.1]hept-5-ene;

Article Data 76

endo-2-Acetyl-5-norbornene Specification

The endo-2-Acetyl-5-norbornene with cas registry number of 824-60-2, is also named endo-2-Acetylbicyclo[2.2.1]hept-5-ene .

Physical properties of endo-2-Acetyl-5-norbornene :(1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 147; (8)ACD/KOC (pH 7.4): 147; (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: 1.515; (14)Molar Refractivity: 39.143 cm3; (15)Molar Volume: 129.756 cm3; (16)Polarizability: 15.518×10-24cm3; (17)Surface Tension: 36.106 dyne/cm; (18)Enthalpy of Vaporization: 42.766 kJ/mol; (19)Vapour Pressure: 0.514 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:O=C([C@@H]1C[C@@H]2/C=C\[C@H]1C2)C; (2)InChI:InChI=1/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9+/m1/s1; (3)InChIKey:NIMLCWCLVJRPFY-VGMNWLOBBS; (4)Std. InChI:InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9+/m1/s1; (5)Std. InChIKey:NIMLCWCLVJRPFY-VGMNWLOBSA-N.

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