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2-Propenoic acid,3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)-

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Name

2-Propenoic acid,3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)-

EINECS N/A
CAS No. 104321-63-3 Density 1.103 g/cm3
PSA 44.76000 LogP 1.25720
Solubility N/A Melting Point N/A
Formula C10H16O4 Boiling Point 240.984 °C at 760 mmHg
Molecular Weight 200.235 Flash Point 97.222 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 104321-63-3 ((Z)-ETHYL-4,5-O-ISOPROPYLIDENE-(R)-4,5-DIHYDROXY-2-PENTENOATE) Hazard Symbols N/A
Synonyms

2-Propenoicacid, 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-, ethyl ester, [R-(Z)]-;

Article Data 21

2-Propenoic acid,3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)- Specification

The 2-Propenoic acid,3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)- is an organic compound with the formula C10H16O4. The systematic name of this chemical is ethyl (2Z)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate. With the CAS registry number 104321-63-3, it is also named as (Z)-Ethyl-4,5-O-isopropylidene-(R)-4,5-dihydroxy-2-pentenoate. The product's category is Chiral. When using it, people should not breathe vapour and avoid contact with skin and eyes. In addition, this chemical should be stored st the temperature of 2-8°C.

The other characteristics of 2-Propenoic acid,3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)- can be summarized as: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 183; (8)ACD/KOC (pH 7.4): 183; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 53.153 cm3; (15)Molar Volume: 181.599 cm3; (16)Polarizability: 21.072×10-24 cm3; (17)Surface Tension: 37.523 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 97.222 °C; (20)Enthalpy of Vaporization: 47.792 kJ/mol; (21)Boiling Point: 240.984 °C at 760 mmHg; (22)Vapour Pressure: 0.037 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OCC)\C=C/[C@H]1OC(OC1)(C)C
2. InChI:InChI=1/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5-/t8-/m1/s1
3. InChIKey:GZVXALXOWVXZLH-RPSMYOMKBY
4. Std. InChI:InChI=1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5-/t8-/m1/s1
5. Std. InChIKey:GZVXALXOWVXZLH-RPSMYOMKSA-N

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