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CAS No.: | 112083-64-4 |
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Name: | ETHYL (3R)-3,4-EPOXYBUTYRATE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H10O3 |
Molecular Weight: | 130.144 |
Synonyms: | Oxiraneaceticacid, ethyl ester, (2R)- (9CI);Oxiraneacetic acid, ethyl ester, (R)-;Ethyl (2R)-oxiran-2-ylacetate; |
Density: | 1.099 g/cm3 |
Boiling Point: | 158.3 °C at 760 mmHg |
Flash Point: | 73.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 38.83000 |
LogP: | 0.33840 |
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The 2-Oxiraneacetic acid,ethyl ester, (2R)-, with the CAS registry number 112083-64-4, is also known as (R)-Ethyl 2-(oxiran-2-yl)acetate. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, its systematic name is Ethyl (2R)-oxiran-2-ylacetate.
Physical properties about 2-Oxiraneacetic acid,ethyl ester, (2R)- are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 2.21; (7)ACD/KOC (pH 5.5): 61.47; (8)ACD/KOC (pH 7.4): 61.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.83 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 31.19 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 12.36×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 73.5 °C; (20)Enthalpy of Vaporization: 39.49 kJ/mol; (21)Boiling Point: 158.3 °C at 760 mmHg; (22)Vapour Pressure: 2.65 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C[C@H]1OC1
(2) InChI: InChI=1/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1
(3) InChIKey: WHUSTVAXKRFVPD-RXMQYKEDBY