4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester
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4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester
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CAS No:
7272-58-4
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Formula:
C12H15NO3
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Chemical Name:
4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester
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Synonyms:
ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate;BRN 0477542;4,5,6,7-Tetrahydro-3-methyl-4-oxo-indole-2-carboxylic acid ethyl ester;3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER;INDOLE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-METHYL-4-OXO-, ETHYL ESTER;F1754-0022;Oprea1_794518;5-22-06-00213 (Beilstein Handbook Reference);SCHEMBL7052350;CTK5D6710
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CAS No:
4,5,6,7-tetrahydro-3-methyl-4-oxo-indole-2-carboxylicaciethylester Basic Attributes
221.25200
221.10500
DTXSID90223024
Characteristics
59.16000
2.01880
1.217g/cm3
165-167 °C(Solv: ethanol (64-17-5))
428.2ºC at 760 mmHg
212.8ºC
1.56
Safety Information
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, P501
H302
|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:221.25
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:221.10519334
Monoisotopic Mass:221.10519334
Topological Polar Surface Area:59.2
Heavy Atom Count:16
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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