β-(NitroMethyl)benzenepropanoicAcidMethylEster
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β-(NitroMethyl)benzenepropanoicAcidMethylEster
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CAS No:
34687-03-1
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Formula:
C11H13NO4
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Chemical Name:
β-(NitroMethyl)benzenepropanoicAcidMethylEster
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Synonyms:
β-(NitroMethyl)benzenepropanoic Acid Methyl Ester;methyl 4-nitro-3-phenylbutanoate;Benzenepropanoic acid, β-(nitromethyl)-, methyl ester;β-(Nitromethyl)benzenepropanoic Acid Methyl Ester
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CAS No:
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.
β-(NitroMethyl)benzenepropanoicAcidMethylEster Use and Manufacturing
β-(Nitromethyl)benzenepropanoic Acid Methyl Ester is an intermediate in the synthesis of Carphedone (C184315), a GABA derivative that exhibited apparent immunocorrection properties during immunosuppression induced by cyclophosphamide.
Computed Properties
Molecular Weight:223.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:223.08445790
Monoisotopic Mass:223.08445790
Topological Polar Surface Area:72.1
Heavy Atom Count:16
Complexity:243
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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