2,8-Oxocanedione - CAS 10521-07-0
Catalog: |
BB054207 |
Product Name: |
2,8-Oxocanedione |
CAS: |
10521-07-0 |
Synonyms: |
Pimelic anhydride; Pimelic acid anhydride |
IUPAC Name: | oxocane-2,8-dione |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1CCC(=O)OC(=O)CC1 |
InChI: | InChI=1S/C7H10O3/c8-6-4-2-1-3-5-7(9)10-6/h1-5H2 |
InChI Key: | ZJHUBLNWMCWUOV-UHFFFAOYSA-N |
Boiling Point: | 275.9±9.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.1±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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