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1628639-06-4

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1628639-06-4 Structure

1628639-06-4 Structure
IdentificationBack Directory
[Name]

WPDCFRNNHUYQGW-IUXPMGMMSA-N
[CAS]

1628639-06-4
[Synonyms]

WPDCFRNNHUYQGW-IUXPMGMMSA-N
(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)-2-hydroxyacetic acid
Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-α-hydroxy-, (11Z)-
[Molecular Formula]

C21H23NO4
[MOL File]

1628639-06-4.mol
[Molecular Weight]

353.42
Chemical PropertiesBack Directory
[Boiling point ]

559.1±50.0 °C(Predicted)
[density ]

1.287±0.06 g/cm3(Predicted)
[pka]

3.44±0.11(Predicted)
[InChI]

InChI=1S/C21H23NO4/c1-22(2)11-5-8-17-16-7-4-3-6-15(16)13-26-19-10-9-14(12-18(17)19)20(23)21(24)25/h3-4,6-10,12,20,23H,5,11,13H2,1-2H3,(H,24,25)/b17-8-
[InChIKey]

WPDCFRNNHUYQGW-IUXPMGMMSA-N
[SMILES]

C(=C1/C2=CC=CC=C2COC2=CC=C(C(O)C(=O)O)C=C/12)\CCN(C)C
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