Ethyl 4-(4-Methoxyphenyl)-2,4-dioxobutanoate - CAS 35322-20-4
Catalog: |
BB065595 |
Product Name: |
Ethyl 4-(4-Methoxyphenyl)-2,4-dioxobutanoate |
CAS: |
35322-20-4 |
Synonyms: |
Ethyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate; Ethyl 4-[4-methoxyphenyl]-2,4-dioxobutyrate; ethyl 4-(4-methoxyphenyl)-2,4-dioxobutyrate |
IUPAC Name: | ethyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate |
Molecular Weight: | 250.25 |
Molecular Formula: | C13H14O5 |
Canonical SMILES: | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)OC |
InChI: | InChI=1S/C13H14O5/c1-3-18-13(16)12(15)8-11(14)9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3 |
InChI Key: | JHWYUCIVJQZDEF-UHFFFAOYSA-N |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.08412354 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 69.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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