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Name
(4S)-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-(4- hydroxybenzene) propanoic acid,methyl ester (Landiolol)
- EINECS 1806241-263-5
- CAS No. 144256-11-1
- Article Data2
- CAS DataBase
- Density 1.156 g/cm3
- Solubility
- Melting Point
- Formula C15H20O5
- Boiling Point 409.21 °C at 760 mmHg
- Molecular Weight 280.321
- Flash Point 147.875 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzenepropanoicacid, 4-hydroxy-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, (S)-;((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate;
- PSA 64.99000
- LogP 2.01950
((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate Specification
The CAS register number of ((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate is 144256-11-1. It also can be called as Benzenepropanoic acid,4-hydroxy-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester and the systematic name about this chemical is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-hydroxyphenyl)propanoate. The molecular formula about this chemical is C15H20O5 and molecular weight is 280.32. It belongs to the APIs Intermediate.
Physical properties about ((S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)propanoate are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 18; (5)ACD/BCF (pH 7.4): 18; (6)ACD/KOC (pH 5.5): 274; (7)ACD/KOC (pH 7.4): 273; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 64.99Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 73.103 cm3; (14)Molar Volume: 242.416 cm3; (15)Polarizability: 28.98x10-24cm3; (16)Surface Tension: 45.033 dyne/cm; (17)Enthalpy of Vaporization: 68.706 kJ/mol; (18)Boiling Point: 409.21 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(OCC(O1)COC(=O)CCc2ccc(cc2)O)C
(2)InChI: InChI=1/C15H20O5/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3/t13-/m1/s1
(3)InChIKey: TWMFOGUTFPLVQZ-CYBMUJFWBZ
(4)Std. InChI: InChI=1S/C15H20O5/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3/t13-/m1/s1
(5)Std. InChIKey: TWMFOGUTFPLVQZ-CYBMUJFWSA-N
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