Ethyl 2,4-dioxovalerate - CAS 615-79-2
Catalog: |
BB031185 |
Product Name: |
Ethyl 2,4-dioxovalerate |
CAS: |
615-79-2 |
Synonyms: |
ethyl 2,4-dioxopentanoate |
IUPAC Name: | ethyl 2,4-dioxopentanoate |
Description: | Perphenazine intermediate. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H10O4 |
Canonical SMILES: | CCOC(=O)C(=O)CC(=O)C |
InChI: | InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3 |
InChI Key: | OYQVQWIASIXXRT-UHFFFAOYSA-N |
Boiling Point: | 101-103 ℃ (12 mmHg) |
Density: | 1.126 g/cm3 |
MDL: | MFCD00009124 |
LogP: | 0.09770 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292496-A | Synthetic method of Laolatinib intermediate | 20210517 |
CN-112940420-A | Composite stabilizer for CPVC foaming and preparation method thereof | 20210330 |
WO-2021126316-A1 | Macrocyclic compounds | 20191218 |
WO-2021077102-A1 | Novel antiparasitic compounds and methods | 20191018 |
WO-2021070132-A1 | Bi-aryl dihydroorotate dehydrogenase inhibitors | 20191010 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.05790880 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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