7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one
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7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one
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CAS No:
56795-51-8
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Formula:
C12H10O5
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Chemical Name:
7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one
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Synonyms:
2H-1-Benzopyran-2-one,7-(acetyloxy)-6-methoxy-;Scopoletin acetate;7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one;Acetylscopoletin;Scopoletin monoacetate;O-Acetyl-Scopoletin
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CAS No:
Characteristics
61.8
0.55
1.3±0.1 g/cm3
177 °C
379.4±42.0 °C at 760 mmHg
170.5±27.9 °C
1.560
729.7 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:234.20
XLogP3:1.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:234.05282342
Monoisotopic Mass:234.05282342
Topological Polar Surface Area:61.8
Heavy Atom Count:17
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one
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