Ethyl 3-[4-(Hydroxymethyl)phenyl]propionate - CAS 107859-98-3
Catalog: |
BB002139 |
Product Name: |
Ethyl 3-[4-(Hydroxymethyl)phenyl]propionate |
CAS: |
107859-98-3 |
Synonyms: |
3-[4-(hydroxymethyl)phenyl]propanoic acid ethyl ester; ethyl 3-[4-(hydroxymethyl)phenyl]propanoate |
IUPAC Name: | ethyl 3-[4-(hydroxymethyl)phenyl]propanoate |
Description: | Ethyl 3-[4-(Hydroxymethyl)phenyl]propionate (CAS# 107859-98-3) is a useful research chemical. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CCOC(=O)CCC1=CC=C(C=C1)CO |
InChI: | InChI=1S/C12H16O3/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6,13H,2,7-9H2,1H3 |
InChI Key: | KAOHDELIEPQEBZ-UHFFFAOYSA-N |
LogP: | 1.67460 |
Publication Number | Title | Priority Date |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
AU-2018312680-A1 | Pyridine compound substituted with azole | 20170810 |
CA-3072420-A1 | Pyridine compound substituted with azole | 20170810 |
CN-110914254-A | Azole-substituted pyridine compound | 20170810 |
EP-3666766-A1 | Pyridine compound substituted with azole | 20170810 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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