Ethyl 4-[4-(Benzyloxy)phenyl]-3-oxobutyrate - CAS 577776-39-7
Catalog: |
BB029817 |
Product Name: |
Ethyl 4-[4-(Benzyloxy)phenyl]-3-oxobutyrate |
CAS: |
577776-39-7 |
Synonyms: |
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid ethyl ester; ethyl 3-oxo-4-(4-phenylmethoxyphenyl)butanoate |
IUPAC Name: | ethyl 3-oxo-4-(4-phenylmethoxyphenyl)butanoate |
Description: | Ethyl 4-[4-(Benzyloxy)phenyl]-3-oxobutyrate (CAS# 577776-39-7 ) is a useful research chemical. |
Molecular Weight: | 312.36 |
Molecular Formula: | C19H20O4 |
Canonical SMILES: | CCOC(=O)CC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C19H20O4/c1-2-22-19(21)13-17(20)12-15-8-10-18(11-9-15)23-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3 |
InChI Key: | HYNATHUIVKZKJQ-UHFFFAOYSA-N |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.13615911 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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