3-Nitro-4-piperidin-1-ylbenzoic acid
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3-Nitro-4-piperidin-1-ylbenzoic acid
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CAS No:
26586-26-5
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Formula:
C12H14N2O4
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Chemical Name:
3-Nitro-4-piperidin-1-ylbenzoic acid
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Synonyms:
3-nitro-4-piperidino-benzoic acid; 4-piperidino-3-nitrobenzoic acid; 3-nitro-4-piperidylbenzoic acid; 3-Nitro-4-piperidino-benzoesaeure;
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CAS No:
3-Nitro-4-piperidin-1-ylbenzoic acid Basic Attributes
250.25100
250.09535693
DTXSID80387068
2933399090
Characteristics
86.36000
2.87150
1.344g/cm3
201-203ºC
452ºC at 760mmHg
227.2ºC
1.61
5.85E-09mmHg at 25°C
Safety Information
Xi
|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:250.25
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:250.09535693
Monoisotopic Mass:250.09535693
Topological Polar Surface Area:86.4
Heavy Atom Count:18
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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