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| CAS No.: | 46399-60-4 |
|---|---|
| Name: | 5-NORBORNENE-2-CARBOXYLIC 2'-ETHOXYETHYL ESTER |
| Molecular Structure: | |
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| Formula: | C12H18O3 |
| Molecular Weight: | 210.27 |
| Synonyms: | 5-NORBORNENE-2-CARBOXYLIC 2-ETHOXYETHYL ESTER;5-NORBORNENE-2-CARBOXYLIC 2-ETHOXYETHYL ESTER 98% [46399-60-4] C12H18O3 FW210.27;Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-ethoxyethyl ester;2-Ethoxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
| Density: | 1.095 g/cm3 |
| Boiling Point: | 295.4 °C at 760 mmHg |
| Flash Point: | 119.7 °C |
| PSA: | 35.53000 |
| LogP: | 1.77830 |
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Specification
This chemical is called 2-Ethoxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate, and it can also be named as bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-ethoxyethyl ester. With the molecular formula of C12H18O3, its molecular weight is 210.27. The CAS registry number of this chemical is 46399-60-4.
Other characteristics of the 2-Ethoxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate can be summarised as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.77; (6)ACD/BCF (pH 7.4): 19.77; (7)ACD/KOC (pH 5.5): 294.65; (8)ACD/KOC (pH 7.4): 294.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 56.53 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 22.41×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 119.7 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 295.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00153 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCOCC)C2CC1/C=C\C2C1
2.InChI: InChI=1/C12H18O3/c1-2-14-5-6-15-12(13)11-8-9-3-4-10(11)7-9/h3-4,9-11H,2,5-8H2,1H3
3.InChIKey: NNCLXDFOVCATLM-UHFFFAOYAG