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| Name |
2-Tetrahydrofuranyl 5-norbornen-2-carboxylate |
EINECS | N/A |
| CAS No. | 230297-45-7 | Density | 1.184 g/cm3 |
| PSA | 35.53000 | LogP | 1.87830 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H16O3 | Boiling Point | 298.392 °C at 760 mmHg |
| Molecular Weight | 208.25 | Flash Point | 121.131 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Tetrahydrofuranyloxycarbonyl 5-norbornene;tetrahydrofuran-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tetrahydro-2-furanyl ester;5-Norbornene-2-Carboxylic Acid 2-Tetrahydrofurfuryl Ester;oxolan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate; |
2-Tetrahydrofuranyl 5-norbornen-2-carboxylate Specification
The 2-Tetrahydrofuranyl 5-norbornen-2-carboxylate, with the CAS registry number 230297-45-7, has the systematic name of tetrahydrofuran-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate. It belongs to the product category of Norbornene Derivatives. And the molecular formula of the chemical is C12H16O3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.99; (6)ACD/BCF (pH 7.4): 6.99; (7)ACD/KOC (pH 5.5): 140.06; (8)ACD/KOC (pH 7.4): 140.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 54.9 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 21.76×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 53.83 kJ/mol; (21)Boiling Point: 298.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00127 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CCCO1)C3CC2/C=C\C3C2
(2)InChI: InChI=1/C12H16O3/c13-12(15-11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2
(3)InChIKey: RVVWLPDCSZPLER-UHFFFAOYAD
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