Methyl 4-(4-methoxyphenyl)-4-oxobutyrate - CAS 5447-74-5
Catalog: |
BB058906 |
Product Name: |
Methyl 4-(4-methoxyphenyl)-4-oxobutyrate |
CAS: |
5447-74-5 |
Synonyms: |
methyl 4-(4-methoxyphenyl)-4-oxobutanoate; Methyl 4-(4-methoxyphenyl)-4-oxobutyrate |
IUPAC Name: | methyl 4-(4-methoxyphenyl)-4-oxobutanoate |
Description: | Methyl 4-(4-methoxyphenyl)-4-oxobutyrate (cas# 5447-74-5) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)CCC(=O)OC |
InChI: | InChI=1S/C12H14O4/c1-15-10-5-3-9(4-6-10)11(13)7-8-12(14)16-2/h3-6H,7-8H2,1-2H3 |
InChI Key: | VMGCRNNKDBFNLI-UHFFFAOYSA-N |
Melting Point: | 46 - 49°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Low-Melting Solid |
Storage: | 4°C, Inert atmosphere |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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