1H-Indole-6-carboxylic acid
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1H-Indole-6-carboxylic acid
structure -
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CAS No:
1670-82-2
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Formula:
C9H7NO2
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Chemical Name:
1H-Indole-6-carboxylic acid
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Synonyms:
1H-Indole-6-carboxylic acid;Indole-6-carboxylic acid;6-Carboxyindole;6-Carboxy-1H-indole
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CAS No:
Characteristics
53.09000
1.86610
Off-White crystal
1.408 g/cm3
243-244 °C
419.6ºC at 760 mmHg
207.6ºC
8.6E-08mmHg at 25°C
Safety Information
3
R20/21/22; R36/37/38
S24/25-S26-S37/39
Xn
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:161.16
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:53.1
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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