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112083-64-4

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Basic Information
CAS No.: 112083-64-4
Name: ETHYL (3R)-3,4-EPOXYBUTYRATE
Article Data: 8
Molecular Structure:
Molecular Structure of 112083-64-4 (ETHYL (3R)-3,4-EPOXYBUTYRATE)
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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Specification

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