Diethyl ethylidenemalonate - CAS 1462-12-0
Catalog: |
BB010060 |
Product Name: |
Diethyl ethylidenemalonate |
CAS: |
1462-12-0 |
Synonyms: |
diethyl 2-ethylidenepropanedioate |
IUPAC Name: | diethyl 2-ethylidenepropanedioate |
Description: | Diethyl ethylidenemalonate (CAS# 1462-12-0 ) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C9H14O4 |
Canonical SMILES: | CCOC(=O)C(=CC)C(=O)OCC |
InChI: | InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3 |
InChI Key: | LBBAWVLUOZVYCC-UHFFFAOYSA-N |
Boiling Point: | 115 ℃ (17 torr) |
Density: | 1.049 g/cm3 |
MDL: | MFCD00009145 |
LogP: | 1.05890 |
Publication Number | Title | Priority Date |
WO-2021168083-A1 | Peptide and protein c-terminus labeling | 20200218 |
WO-2020131597-A1 | Pyrimidone derivatives as selective cytotoxic agents against hiv infected cells | 20181218 |
CN-113423695-A | Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells | 20181218 |
EP-3898595-A1 | Pyrimidone derivatives as selective cytotoxic agents against hiv infected cells | 20181218 |
KR-20210104796-A | Pyrimidone derivatives as selective cytotoxic agents for HIV-infected cells | 20181218 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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