Identifiers & Physical Properties
| CAS No. | 18035-91-1 |
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| Molecular formula | C8H15O2- |
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| Average molar mass | 143.2 g/mol |
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| Monoisotopic mass | 143.1077533 g/mol |
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| SMILES | CCCCC(CC)C(=O)[O-] |
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| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-M |
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| PubChem CID | 4072356 |
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| DTXSID | DTXSID10894856 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 40.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 10 |
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| Formal charge | -1 |
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| Complexity | 93.9 |
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| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
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Safety & Regulations
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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