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ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate

ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate structure

CAS No:
37711-24-3
Formula:
C14H19NO3
Chemical Name:
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
Synonyms:
ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindole-2-carboxylate; 2-Carbethoxy-3,5,5-trimethyl-4-keto-4,5,6,7-tetrahydro-indol; ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate; ethyl 4-oxo-3,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate; 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-indol-2-carbonsaeure-aethylester; 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-indole-2-carboxylic acid ethyl ester; ethyl 3,6,6-trimethyl-4-oxo-5,6,7-trihydroindole-2-carboxylate;Expand

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ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate Basic Attributes

Molecular Weight：

249.30600

Exact Mass：

249.13649347

DSSTox ID：

DTXSID60368875

HScode：

2933990090

Characteristics

PSA：

59.16000

XLogP3：

2.65490

Density：

1.132g/cm3

Boiling Point：

422.6ºC

Flash Point：

209.4ºC

Refractive Index：

1.531

Safety Information

GHS Classification：

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:249.30
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:249.13649347
Monoisotopic Mass:249.13649347
Topological Polar Surface Area:59.2
Heavy Atom Count:18
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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