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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | decanedioic acid |
| canonical smiles | C(CCCCC(=O)O)CCCC(=O)O |
| inchi | InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) |
| inchi key | CXMXRPHRNRROMY-UHFFFAOYSA-N |
| molecular formula | C10H18O4 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 202.25 g/mol |
| XLogP3: | 2.1 |
| Hydrogen Bond Donor Count: | 2 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 9 |
| Exact Mass: | 202.12050905 g/mol |
| Monoisotopic Mass: | 202.12050905 g/mol |
| Topological Polar Surface Area: | 74.6 Ų |
| Heavy Atom Count: | 14 |
| Formal Charge: | 0 |
| Complexity: | 157 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Warning |
| hazard classes and categories | |
| precautionary statement codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | Causes somnolence, excitement, and effects on food intake in oral lethal-dose studies of rats. Causes impaired liver function tests and effects on CNS in repeated-dose inhalation studies of rats. No listed effects of short-term or long-term exposure (health effects not fully investigated). May cause irritation. May cause irritation. |
| symptoms | |
| carcinogen classification | default_key: No indication of carcinogenicity to humans . |
