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748799-31-7

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Basic Information
CAS No.: 748799-31-7
Name: 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 7-chloro-4-ethyl-7,8-dihydro-4-hydroxy-, (4S)-
Molecular Structure:
Molecular Structure of 748799-31-7 (1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 7-chloro-4-ethyl-7,8-dihydro-4-hydroxy-, (4S)-)
Formula: C13H12ClNO5
Molecular Weight: 297.69
Synonyms: 10H-Pyrano[3,4-f]indolizine-3,6,10-trione,7-chloro-4-ethyl-1,4,7,8-tetrahydro-4-hydroxy-, (4S)- (9CI);(4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione;
Density: 1.593 g/cm3
Boiling Point: 687.033 °C at 760 mmHg
Flash Point: 369.304 °C
PSA: 85.60000
LogP: 0.30640
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  • (4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione

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    748799-31-7

    (4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione

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Specification

The cas register number of (4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione is 748799-31-7. It also can be called as 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione,7-chloro-4-ethyl-7,8-dihydro-4-hydroxy-, (4S)- and the Systematic name about this chemical is (4S)-7-chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione. It belongs to the API intermediates.

Physical properties about (4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione are: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9; (7)ACD/KOC (pH 7.4): 9; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 83.91Å2; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 67.573 cm3; (14)Molar Volume: 186.866 cm3; (15)Polarizability: 26.788x10-24cm3; (16)Surface Tension: 69.018 dyne/cm; (17)Enthalpy of Vaporization: 115.201 kJ/mol; (18)Boiling Point: 687.033 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C=1N(C(=O)\C2=C(/C=1)[C@](O)(C(=O)OC2)CC)CC3C
(2)InChI: InChI=1/C13H12ClNO5/c1-2-13(19)7-3-9-10(16)8(14)4-15(9)11(17)6(7)5-20-12(13)18/h3,8,19H,2,4-5H2,1H3/t8?,13-/m0/s1
(3)InChIKey: YNXWNUDKQUAYNE-RLROJCQXBC
(4)Std. InChI: InChI=1S/C13H12ClNO5/c1-2-13(19)7-3-9-10(16)8(14)4-15(9)11(17)6(7)5-20-12(13)18/h3,8,19H,2,4-5H2,1H3/t8?,13-/m0/s1
(5)Std. InChIKey: YNXWNUDKQUAYNE-RLROJCQXSA-N