| Identification | Back Directory | [Name]
2-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid | [CAS]
115610-36-1 | [Synonyms]
Avenanthramide D
2-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid | [Molecular Formula]
C16H13NO4 | [MOL File]
115610-36-1.mol | [Molecular Weight]
283.28 |
| Chemical Properties | Back Directory | [Melting point ]
220 °C(Solv: water (7732-18-5); acetone (67-64-1)) | [Boiling point ]
578.1±50.0 °C(Predicted) | [density ]
1.400±0.06 g/cm3(Predicted) | [form ]
solid | [pka]
3.47±0.36(Predicted) | [InChI]
1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+ | [InChIKey]
INBHLTYBRKASIZ-JXMROGBWSA-N | [SMILES]
N(c2c(cccc2)C(=O)O)C(=O)\C=C\c1ccc(cc1)O |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Eye Irrit. 2
Repr. 1B
Skin Irrit. 2
STOT SE 3 |
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