1-Methyl-1H-indole-2-carboxylic acid
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1-Methyl-1H-indole-2-carboxylic acid
structure -
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CAS No:
16136-58-6
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Formula:
C10H9NO2
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Chemical Name:
1-Methyl-1H-indole-2-carboxylic acid
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Synonyms:
1H-Indole-2-carboxylic acid,1-methyl-;Indole-2-carboxylic acid,1-methyl-;1-Methyl-1H-indole-2-carboxylic acid;1-Methylindole-2-carboxylic acid;N-Methyl-2-indolecarboxylic acid;NSC 68357
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CAS No:
1-Methyl-1H-indole-2-carboxylic acid Basic Attributes
175.18400
175.18
68357
DTXSID60167123
2933990090
Characteristics
42.23000
1.87650
Beige crystalline powder
1.38 g/cm3
214 °C
389ºC at 760 mmHg
189ºC
1.612
9.54E-07mmHg at 25°C
Safety Information
3
R22; R36/37/38
S26
NL6012400
Xn
P261; P305 + P351 + P338
H302; H315; H319; H335
|Warning|H302 (97.44%): 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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:175.18
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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