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3-Chloro-4-dimethylaminothioangelicin
[CAS# 90236-91-2]

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CAS#: 90236-91-2
Product: 3-Chloro-4-dimethylaminothioangelicin
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Identification
Name 3-Chloro-4-dimethylaminothioangelicin
Synonyms 3-Chloro-4-Dimethylamino-Thieno[2,3-H]Chromen-2-One; 3-Chloro-4-Dimethylamino-2-Thieno[2,3-H]Chromenone; 2H-Thieno(2,3-H)-1-Benzopyran-2-One, 3-Chloro-4-(Dimethylamino)-
Molecular Structure CAS#: 90236-91-2, 3-Chloro-4-dimethylaminothioangelicin
Molecular Formula C13H10ClNO2S
Molecular Weight 279.74
CAS Registry Number 90236-91-2
SMILES C1=C3C(=C2C(=C1)C(=C(C(O2)=O)Cl)N(C)C)C=CS3
InChI 1S/C13H10ClNO2S/c1-15(2)11-8-3-4-9-7(5-6-18-9)12(8)17-13(16)10(11)14/h3-6H,1-2H3
InChIKey QTXQUPXOGACDSE-UHFFFAOYSA-N
Properties
Density 1.463g/cm3 (Cal.)
Boiling point 434.035°C at 760 mmHg (Cal.)
Flash point 216.297°C (Cal.)
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