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3-Acetyl-6-Chloro-2H-Chromen-2-One
[CAS# 53653-66-0]

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Identification
Name 3-Acetyl-6-Chloro-2H-Chromen-2-One
Synonyms 3-Acetyl-6-Chloro-Chromen-2-One; 3-Acetyl-6-Chloro-2-Chromenone; 3-Acetyl-6-Chloro-Coumarin
Molecular Structure CAS#: 53653-66-0, 3-Acetyl-6-Chloro-2H-Chromen-2-One
Molecular Formula C11H7ClO3
Molecular Weight 222.63
CAS Registry Number 53653-66-0
SMILES C1=C(Cl)C=CC2=C1C=C(C(O2)=O)C(=O)C
InChI 1S/C11H7ClO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
InChIKey VYMAEQZQRVDKQZ-UHFFFAOYSA-N
Properties
Density 1.406g/cm3 (Cal.)
Boiling point 428.841°C at 760 mmHg (Cal.)
Flash point 196.505°C (Cal.)
References
(1) D. Chopra, K. N. Venugopal, B. S. Jayashree and T. N. G. Row. 3-Acetyl-6-chloro-2H-chromen-2-one, Acta Cryst. (2006). E62, o2310-o2312 
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