2-Methyl-3-nitrobenzeneacetic acid
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2-Methyl-3-nitrobenzeneacetic acid
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CAS No:
23876-15-5
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Formula:
C9H9NO4
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Chemical Name:
2-Methyl-3-nitrobenzeneacetic acid
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Synonyms:
Benzeneacetic acid,2-methyl-3-nitro-;Acetic acid,(3-nitro-o-tolyl)-;2-Methyl-3-nitrobenzeneacetic acid;2-(2-Methyl-3-nitrophenyl)acetic acid;2-Methyl-3-nitrophenylacetic acid
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CAS No:
Characteristics
83.1
1.9
Solid
1.3±0.1 g/cm3
118 °C
377.6°C at 760 mmHg
168.1±12.2 °C
1.587
2-8°C
0mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-24/25
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:195.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Methyl-3-nitrobenzeneacetic acid
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