Ethyl 4-benzyloxy-3-oxobutanoate - CAS 67354-34-1
Catalog: |
BB056039 |
Product Name: |
Ethyl 4-benzyloxy-3-oxobutanoate |
CAS: |
67354-34-1 |
Synonyms: |
Ethyl 4-(benzyloxy)-3-oxobutanoate; ethyl 3-oxo-4-phenylmethoxybutanoate; Butanoic acid, 3-oxo-4-(phenylmethoxy)-, ethyl ester; ethyl4-(benzyloxy)-3-oxobutanoate; ethyl 4-benzyloxyacetoacetate; ethyl 4-benzyloxy-3-oxobutyrate |
IUPAC Name: | ethyl 3-oxo-4-phenylmethoxybutanoate |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | CCOC(=O)CC(=O)COCC1=CC=CC=C1 |
InChI: | InChI=1S/C13H16O4/c1-2-17-13(15)8-12(14)10-16-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
InChI Key: | DXUTWLTWGKEWJA-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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