6-METHOXY-1H-INDOLE-2-CARBOXYLICACID
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6-METHOXY-1H-INDOLE-2-CARBOXYLICACID
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CAS No:
16732-73-3
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Formula:
C10H9NO3
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Chemical Name:
6-METHOXY-1H-INDOLE-2-CARBOXYLICACID
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Synonyms:
1H-INDOLE-2-CARBOXYLIC ACID, 6-METHOXY-;AKOS JY2082559;6-METHOXYINDOLE-2-CARBOXYLIC ACID;6-METHOXY-1H-INDOLE-2-CARBOXYLIC ACID;6-Methoxindole-2-Carboxylic Acid;6-Methoxy-1H-indole-2-carboxylic aci;NSC 27988;16732-73-3
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CAS No:
6-METHOXY-1H-INDOLE-2-CARBOXYLICACID Basic Attributes
191.18
191.058243149 g/mol
27988
DTXSID10328449
2933990090
Characteristics
62.32000
1.87470
1.381±0.06 g/cm3
198-203℃
447.6±25.0 °C(Predicted)
224.5ºC
1.677
8.54E-09mmHg at 25°C
4.54±0.30
Safety Information
IRRITANT
3
36/37/38
26
Xi
|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 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-METHOXY-1H-INDOLE-2-CARBOXYLICACID Use and Manufacturing
• ;Reactant for demethylation reactions using ionic liquids under microwave irradiation1• ;Reactant for preparation of pyrazinoindoledione via Ugi reaction and microwave-assisted cyclization2• ;Reactant for preparation of isoquinolinecarboxamides and their derivatives as opioid receptor antagonists3• ;Synthetic intermediate for preparation of indole fatty alcohol derivatives4• ;Reactant for preparation of acylaminoalkylindoles as MT2-selective melatonin antagonists5
Computed Properties
Molecular Weight:191.18
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:191.058243149
Monoisotopic Mass:191.058243149
Topological Polar Surface Area:62.3
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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