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[1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester

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Name

[1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester

EINECS N/A
CAS No. 118392-79-3 Density 1.31
PSA 80.29000 LogP 5.20890
Solubility N/A Melting Point N/A
Formula C32H30O7 Boiling Point N/A
Molecular Weight 526.58 Flash Point N/A
Transport Information N/A Appearance white
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 118392-79-3 ([1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester) Hazard Symbols N/A
Synonyms

EN-2;Enprostone;Etiproston

 

[1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester Specification

The CAS register number of [1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester is 118392-79-3. The systematic name about this chemical is [2-oxo-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]vinyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate. The molecular formula about this chemical is C32H30O7 and molecular weight is 526.58.

Physical properties about [1,1'-Biphenyl]-4-carboxylic acid hexahydro-2-oxo-4-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-2H-cyclopenta[b]furan-5-yl ester are: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.701; (4)ACD/LogD (pH 7.4): 5.701; (5)ACD/BCF (pH 5.5): 12662.835; (6)ACD/BCF (pH 7.4): 12662.835; (7)ACD/KOC (pH 5.5): 30073.254; (8)ACD/KOC (pH 7.4): 30073.254; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 80.29Å2; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 143.644 cm3; (14)Molar Volume: 399.863 cm3; (15)Polarizability: 56.945x10-24cm3; (16)Surface Tension: 59.346 dyne/cm; (17)Enthalpy of Vaporization: 102.076 kJ/mol; (18)Boiling Point: 697.049 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC4C(C3/C=C/C5(OCCO5)COc6ccccc6)CC(=O)O4
(2)InChI: InChI=1/C32H30O7/c33-30-19-27-26(15-16-32(36-17-18-37-32)21-35-25-9-5-2-6-10-25)28(20-29(27)38-30)39-31(34)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h1-16,26-29H,17-21H2/b16-15+
(3)InChIKey: RQTJQNBGKPAHOD-FOCLMDBBBB
(4)Std. InChI: InChI=1S/C32H30O7/c33-30-19-27-26(15-16-32(36-17-18-37-32)21-35-25-9-5-2-6-10-25)28(20-29(27)38-30)39-31(34)24-13-11-23(12-14-24)22-7-3-1-4-8-22/h1-16,26-29H,17-21H2/b16-15+
(5)Std. InChIKey: RQTJQNBGKPAHOD-FOCLMDBBSA-N

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