| Weight | 205.213 g/mol |
|---|---|
| Formula | C11H11NO3 |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 3 |
3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (83747-30-2)
83747-30-2
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LabBot
- C-H...arene, Csp-H...O=C and O-H...O intermolecular interactions in (2R/2S)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid: a meta-tyrosine derivative (1999)
- CHarene, Csp3HO=C and OHO intermolecular interactions in (2R/2S)3(3hydroxyphenyl)2(1oxo1,3dihydro2Hisoindol2yl)propanoic acid: a metatyrosine derivative (Acta Crystallographica Section C-crystal Structure Communications, 1999)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 83747-30-2
-
SMILESC1C2=CC=CC=C2C(=O)N1CCC(=O)O
-
InChIKeyQMNYVASLMSOSFP-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 350.21 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 392.22 C | EPI Suite |
| Density | 1.31 g/cm3 | EPA T.E.S.T. |
| Flash Point | 205.72 C | EPA T.E.S.T. |
| Melting Point | 156.62 C | EPI Suite |
| Water Solubility | 2093.54 mg/L | EPA T.E.S.T. |
| Water Solubility | 12125 mg/L | EPI Suite |
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Synthesis
Similar Compounds
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111992-61-1
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ZINC00313040
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3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
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