2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylicacid(SALTDATA:FREE)
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2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylicacid(SALTDATA:FREE)
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CAS No:
54931-62-3
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Formula:
C11H9NO3
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Chemical Name:
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylicacid(SALTDATA:FREE)
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Synonyms:
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid(SALTDATA: FREE);1,2-dihydro-2-methyl-1-oxo-4-isoquinolinecarboxylic acid;2-Methyl-1-oxo-isoquinoline-4-carboxylic acid;4-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-;2-(4-bromoimidazol-1-yl)pyridine;-1-oxo-1,2-dihydroisoquinoL;ine-4-carboxyL;-1-oxo-1,2-dihydroisoquinoL
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CAS No:
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylicacid(SALTDATA:FREE) Basic Attributes
203.19
203.058243149
DTXSID00481072
2933790090
Characteristics
59.30000
1.23670
1.378±0.06 g/cm3
270.5-271.5 °C (decomp)
366.4±42.0 °C(Predicted)
175.423ºC
1.632
6.68±0.20
Safety Information
|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:203.19
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:203.058243149
Monoisotopic Mass:203.058243149
Topological Polar Surface Area:57.6
Heavy Atom Count:15
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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