CAS No.369648-89-5,5-NORBORNENE-2-CARBOXYLIC 1'-METHYLCYCLOPENTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	369648-89-5
Name:	5-NORBORNENE-2-CARBOXYLIC 1'-METHYLCYCLOPENTYL ESTER

Formula:	C₁₄H₂₀O₂
Molecular Weight:	220.31
Synonyms:	1-Methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;5-Norbornene-2-carboxylic 1'-methylcyclopentyl ester;
Density:	1.09 g/cm³
Boiling Point:	289.856 °C at 760 mmHg
Flash Point:	121.443 °C
PSA:	26.30000
LogP:	3.07450

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Specification

The Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester with the CAS number 369648-89-5 is also called 5-Norbornene-2-carboxylic 1'-methylcyclopentyl ester. The systematic name is 1-methylcyclopentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate. Its molecular formula is C₁₄H₂₀O₂. The product category is Norbornene Derivatives.

The properties of the Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 1-methyl-cyclopentyl ester are: (1)ACD/LogP: 4.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 433; (6)ACD/BCF (pH 7.4): 433; (7)ACD/KOC (pH 5.5): 2685; (8)ACD/KOC (pH 7.4): 2685; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 62.45 cm³; (15)Molar Volume: 202.192 cm³; (16)Polarizability: 24.757×10^-24cm³; (17)Surface Tension: 39.093 dyne/cm; (18)Enthalpy of Vaporization: 52.919 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC3(OC(=O)C2CC1/C=C\C2C1)CCCC3
(2)InChI: InChI=1/C14H20O2/c1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3
(3)InChIKey: KRJJDXSTPKETCM-UHFFFAOYAZ