Methylindole-5-carboxylate
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Methylindole-5-carboxylate
structure -
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CAS No:
1011-65-0
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Formula:
C10H9NO2
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Chemical Name:
Methylindole-5-carboxylate
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Synonyms:
M2325G1;RARECHEMAHBS0114;LABOTEST-BBLT00454878;5-(Methoxycarbonyl)indole;METHYLINDOLE-5-CABOXYLATE;METHYLINDOLE-5-CARBOXYLATE;Methylindole-5-carboxyla...;5-(Methoxycarbonyl)-1H-indole;Methyl1H-indol-5-carboxylate;METHYL1H-INDOLE-5-CARBOXYLATE
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CAS No:
Characteristics
42.1
2.6
off-white to light brown crystalline powder
1.3±0.1 g/cm3
126-128 °C(lit.)
331.7ºC at 760 mmHg
154.4±20.4 °C
1.639
0.000153mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:175.18
XLogP3:2.6
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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