Ac-3,5-dinitro-Tyr-OEt structure

Ac-3,5-dinitro-Tyr-OEt

ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate

Also Known As: Ac-3,5-dinitro-Tyr-OEt|N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester|3,5-DINITROACETYL-L-TYROSINE, ETHYL ESTER|ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate|Ethyl 2-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate|Ethyl 2-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate #|Propanoic acid, 2-acetylamino-3-(4-hydroxy-3,5-dinitrophenyl)-, ethyl ester

CAS: 29358-99-4
Molecular Formula C13H15N3O8
Molecular Weight 341.0859 g/mol
LogP 1.7
Topological Polar Surface Area 167.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 341.0859
Monoisotopic Mass 341.0859
Heavy Atoms 24
Complexity 476.0

Chemical Identifiers

CAS Number 29358-99-4
SMILES CCOC(=O)C(CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])NC(=O)C
InChIKey SJSFXFJUJDOSND-UHFFFAOYSA-N

Product Overview

Ac-3,5-dinitro-Tyr-OEt (CAS 29358-99-4), with molecular formula C13H15N3O8 and molecular weight 341.0859 g/mol. IUPAC: ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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