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CAS No.: 31753-00-1
Name: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester
Article Data: 3
Molecular Structure:
Molecular Structure of 31753-00-1 ([1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester)
Formula: C28H30 O5
Molecular Weight: 446.543
Synonyms: 4-Biphenylcarboxylicacid, ester with 3,3aa,4,5,6,6aa-hexahydro-5b-hydroxy-6a-(3-oxo-1-octenyl)-2H-cyclopenta[b]furan-2-one,(E)-(-)- (8CI); [1,1'-Biphenyl]-4-carboxylic acid,(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-ylester (9CI); [1,1'-Biphenyl]-4-carboxylic acid,hexahydro-2-oxo-4-(3-oxo-1-octenyl)-2H-cyclopenta[b]furan-5-yl ester, [3aa,4a(E),5b,6aa]-(-)-; 2H-Cyclopenta[b]furan,[1,1'-biphenyl]-4-carboxylic acid deriv.
Density: 1.20
Boiling Point: 640.5oC at 760 mmHg
Flash Point: 273.6oC
PSA: 69.67000
LogP: 5.53620
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Chemistry

Molecule structure of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS NO.31753-00-1):

Product Name: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester 
Molecular Formula: C28H30O5
Molecular Weight: 446.53
CAS Registry Number: 31753-00-1
Index of Refraction: 1.589
Molar Refractivity: 125.11 cm3
Molar Volume: 371 cm3
Polarizability: 49.6×10-24 cm3
Surface Tension: 51.4 dyne/cm
Density: 1.2 g/cm3
Flash Point: 273.6 °C
Enthalpy of Vaporization: 94.56 kJ/mol
Boiling Point: 640.5 °C at 760 mmHg
Vapour Pressure: 2.67E-16 mmHg at 25 °C 
SMILES: O=C3O[C@H]4C[C@@H](OC(=O)c2ccc(c1ccccc1)cc2)[C@H](/C=C/C(=O)CCCCC)[C@H]4C3
InChI: InChI=1/C28H30O5/c1-2-3-5-10-22(29)15-16-23-24-17-27(30)32-26(24)18-25(23)33-28(31)21-13-11-20(12-14-21)19-8-6-4-7-9-19/h4,6-9,11-16,23-26H,2-3,5,10,17-18H2,1H3/b16-15+/t23-,24-,25-,26+/m1/s1 
InChIKey: KVAPQSSLLZXBHI-LMXHIZBGBN
Std. InChI: InChI=1S/C28H30O5/c1-2-3-5-10-22(29)15-16-23-24-17-27(30)32-26(24)18-25(23)33-28(31)21-13-11-20(12-14-21)19-8-6-4-7-9-19/h4,6-9,11-16,23-26H,2-3,5,10,17-18H2,1H3/b16-15+/t23-,24-,25-,26+/m1/s1
Std. InChIKey  of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS NO.31753-00-1): KVAPQSSLLZXBHI-LMXHIZBGSA-N

Specification

 [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS NO.31753-00-1) is also named as (3aR,4R,5R,6aS)-2-oxo-4-[(1E)-3-oxooct-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate ; 4-Biphenylcarboxylicacid, ester with 3,3aa,4,5,6,6aa-hexahydro-5b-hydroxy-6a-(3-oxo-1-octenyl)-2H-cyclopenta[b]furan-2-one,(E)-(-)- (8CI ) ; [1,1'-Biphenyl]-4-carboxylic acid,(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octenyl]-2H-cyclopenta[b]furan-5-ylester (9CI) ; [1,1'-Biphenyl]-4-carboxylic acid,hexahydro-2-oxo-4-(3-oxo-1-octenyl)-2H-cyclopenta[b]furan-5-yl ester, [3aa,4a(E),5b,6aa]-(-)- ; 2H-Cyclopenta[b]furan,[1,1'-biphenyl]-4-carboxylic acid deriv. .