4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium - CAS 10485-47-9
Catalog: |
BB065973 |
Product Name: |
4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium |
CAS: |
10485-47-9 |
Synonyms: |
(4-ethoxy-2,4-dioxobutyl)-trimethylazanium; 4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium; 4-Ethoxy-N,N,N-trimethyl-2,4-dioxobutan-1-aminium |
IUPAC Name: | (4-ethoxy-2,4-dioxobutyl)-trimethylazanium |
Molecular Weight: | 188.24 |
Molecular Formula: | C9H18NO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C[N+](C)(C)C |
InChI: | InChI=1S/C9H18NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h5-7H2,1-4H3/q+1 |
InChI Key: | ROLRXDIMKFRADI-UHFFFAOYSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.12866844 |
Formal Charge: | 1 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.12866844 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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