Ethyl 4-(4-Formyl-3-hydroxyphenoxy)butyrate - CAS 152942-06-8
Catalog: |
BB010830 |
Product Name: |
Ethyl 4-(4-Formyl-3-hydroxyphenoxy)butyrate |
CAS: |
152942-06-8 |
Synonyms: |
4-(4-formyl-3-hydroxyphenoxy)butanoic acid ethyl ester; ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate |
IUPAC Name: | ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate |
Description: | Ethyl 4-(4-Formyl-3-hydroxyphenoxy)butyrate (CAS# 152942-06-8) is a useful research chemical. |
Molecular Weight: | 252.26 |
Molecular Formula: | C13H16O5 |
Canonical SMILES: | CCOC(=O)CCCOC1=CC(=C(C=C1)C=O)O |
InChI: | InChI=1S/C13H16O5/c1-2-17-13(16)4-3-7-18-11-6-5-10(9-14)12(15)8-11/h5-6,8-9,15H,2-4,7H2,1H3 |
InChI Key: | QVNCWTDCVZRKAD-UHFFFAOYSA-N |
LogP: | 1.92680 |
Publication Number | Title | Priority Date |
WO-2017158612-A1 | Multi-functional chemical agents, and the method for protein modification | 20160318 |
EP-0880519-A1 | Thiazolylbenzofuran derivatives and pharmaceutical compositions containing them | 19960122 |
EP-0880519-B1 | Thiazolylbenzofuran derivatives and pharmaceutical compositions containing them | 19960122 |
EP-1170009-A2 | Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists | 19960122 |
EP-1170009-B1 | Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists | 19960122 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.09977361 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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