1,3-DIACETOXYINDOLE
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1,3-DIACETOXYINDOLE
structure -
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CAS No:
16800-67-2
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Formula:
C12H11NO3
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Chemical Name:
1,3-DIACETOXYINDOLE
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Synonyms:
INDOXYL 1,3-DIACETATE;1,3-DIACETOXYINDOLE;ACETIC ACID 1-ACETYL-1H-INDOL-3-YL ESTER;AKOS AU36-M367;AKOS 92481;N-ACETYLINDOL-3-YL ACETATE;N-ACETYL-3-ACETOXYINDOLE;1-acetyl-1h-indol-3-oacetate(ester)
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CAS No:
Characteristics
48.30000
1.52
Light brown solid
1.21±0.1 g/cm3(Predicted)
80 °C
345.3±15.0 °C(Predicted)
162.6±20.4 °C
1.579
−20°C
6.21E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
24/25
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:217.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:48.3
Heavy Atom Count:16
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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