3H-benzo[e]indole-2-carboxylic acid
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![3H-benzo[e]indole-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/69df0ed254b34e0dbd2f4d9ce1aa3ec9.png "3H-benzo[e]indole-2-carboxylic acid")
3H-benzo[e]indole-2-carboxylic acid
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CAS No:
50536-72-6
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Formula:
C13H9NO2
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Chemical Name:
3H-benzo[e]indole-2-carboxylic acid
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Synonyms:
3H-Benzo[e]indole-2-carboxylic acid;50536-72-6;3H-Benz[e]indole-2-carboxylic acid;NSC607747;Oprea1_725024;MLS000062003;SCHEMBL3601642;CHEMBL1408184;Benz[e]indole-2-carboxylic acid;ZINC23582;DTXSID20326658;CHEBI:109822;HMS2332P07;BBL020226;MFCD02320869;STK889350;AKOS000573884;CCG-200572;MCULE-8725630028;NSC-607747;SMR000070864;DB-029099;FT-0732180;EN300-15081;W-9395;J-512586;Q27189121
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CAS No:
3H-benzo[e]indole-2-carboxylic acid Basic Attributes
211.22 g/mol
211.063328530 g/mol
607747
DTXSID20326658
Safety Information
|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:211.22
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:211.063328530
Monoisotopic Mass:211.063328530
Topological Polar Surface Area:53.1
Heavy Atom Count:16
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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