1-Ethyl 4-Methyl 3-Methoxy-2-oxosuccinate - CAS 412018-73-6
Catalog: |
BB065512 |
Product Name: |
1-Ethyl 4-Methyl 3-Methoxy-2-oxosuccinate |
CAS: |
412018-73-6 |
Synonyms: |
4-Ethyl 1-methyl 2-methoxy-3-oxobutanedioate |
IUPAC Name: | 1-O-ethyl 4-O-methyl 3-methoxy-2-oxobutanedioate |
Molecular Weight: | 204.18 |
Molecular Formula: | C8H12O6 |
Canonical SMILES: | CCOC(=O)C(=O)C(C(=O)OC)OC |
InChI: | InChI=1S/C8H12O6/c1-4-14-7(10)5(9)6(12-2)8(11)13-3/h6H,4H2,1-3H3 |
InChI Key: | BSQGOYSFFQGXIN-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0633881 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0633881 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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