Identifiers & Physical Properties
| CAS No. | 10172-89-1 |
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| Molecular formula | C11H13NO3 |
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| Average molar mass | 207.23 g/mol |
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| Monoisotopic mass | 207.08954328 g/mol |
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| SMILES | CC(=O)NC(Cc1ccccc1)C(=O)O |
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| InChIKey | CBQJSKKFNMDLON-UHFFFAOYSA-N |
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| PubChem CID | 2000 |
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| ChEMBL | CHEMBL134570 |
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| ChEBI | CHEBI:21626 |
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| EC No. | 220-793-9 |
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| DTXSID | DTXSID3045697 |
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Chemical & Physical Properties
| XLogP | 0.6 |
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| Topological polar surface area | 66.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 234 |
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| Collision Cross Section | 146.9 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
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