Diethyl Isonitrosomalonate - CAS 6829-41-0
Catalog: |
BB033515 |
Product Name: |
Diethyl Isonitrosomalonate |
CAS: |
6829-41-0 |
Synonyms: |
2-hydroxyiminopropanedioic acid diethyl ester; diethyl 2-hydroxyiminopropanedioate |
IUPAC Name: | diethyl 2-hydroxyiminopropanedioate |
Description: | Diethyl Isonitrosomalonate (CAS# 6829-41-0) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C7H11NO5 |
Canonical SMILES: | CCOC(=O)C(=NO)C(=O)OCC |
InChI: | InChI=1S/C7H11NO5/c1-3-12-6(9)5(8-11)7(10)13-4-2/h11H,3-4H2,1-2H3 |
InChI Key: | QOPCUMZEDYLUDO-UHFFFAOYSA-N |
MDL: | MFCD00019949 |
LogP: | -0.05720 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021148934-A1 | An improved hydrogenation process using a transition metal complex catalyst | 20200120 |
WO-2021148935-A1 | A transition metal complex compound | 20200120 |
PL-236363-B1 | 3- (Trifluoromethyl) -7,8-dihydroimidazo [2,1-c] [1,2,4] triazin-4 (6H) -ones substituted with monochlorophenyl or dichlorophenyl, their preparation and medical use | 20190306 |
PL-236364-B1 | 8-Substituted-3- (propan-2-yl) -7,8-dihydroimidazo [2,1-c] [1,2,4] triazin-4 (6H) -ones, their preparation and medical use | 20190306 |
CN-107652245-A | Chiral isoxadifen ethyl ester compound and its preparation method and application | 20170824 |
PMID | Publication Date | Title | Journal |
16545495 | 20060401 | Synthesis, crystal structure and anticancer activity of novel derivatives of ethyl 1-(4-oxo-8-aryl-4,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl)formate | European journal of medicinal chemistry |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.06372245 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 85.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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