Methyl 1H-indole-2-carboxylate
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Methyl 1H-indole-2-carboxylate
structure -
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CAS No:
1202-04-6
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Formula:
C10H9NO2
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Chemical Name:
Methyl 1H-indole-2-carboxylate
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Synonyms:
1H-Indole-2-carboxylic acid,methyl ester;Indole-2-carboxylic acid,methyl ester;Methyl 2-indolecarboxylate;2-(Methoxycarbonyl)indole;Methyl 1H-indole-2-carboxylate;NSC 78006
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CAS No:
Methyl 1H-indole-2-carboxylate Basic Attributes
175.18
175.18
214-861-7
78006
DTXSID10152726
2933990090
Characteristics
42.1
2.5
off white crystals
1.3±0.1 g/cm3
150.0-151.3 °C
331.7°C at 760 mmHg
154.4±20.4 °C
1.639
470 mg/L (25 ºC)
0.000153mmHg at 25°C
Safety Information
R20/21/22;R36/37/38
S22-S26-S36/37/39
Xn:Harmful
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, P501
H302
|Warning|H302 (66.67%): 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 6 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:175.18
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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