Methyl 3-(1-Hydroxyethyl)benzoate - CAS 87808-11-5
Catalog: |
BB038640 |
Product Name: |
Methyl 3-(1-Hydroxyethyl)benzoate |
CAS: |
87808-11-5 |
Synonyms: |
3-(1-hydroxyethyl)benzoic acid methyl ester; methyl 3-(1-hydroxyethyl)benzoate |
IUPAC Name: | methyl 3-(1-hydroxyethyl)benzoate |
Description: | Methyl 3-(1-Hydroxyethyl)benzoate (CAS# 87808-11-5 ) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(C1=CC=CC(=C1)C(=O)OC)O |
InChI: | InChI=1S/C10H12O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7,11H,1-2H3 |
InChI Key: | NYOJUUILPLWPHN-UHFFFAOYSA-N |
LogP: | 1.52650 |
Publication Number | Title | Priority Date |
WO-2020198537-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-2021032213-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
CN-106866627-B | 3- (1- (aminopyridinyloxy) ethyl) benzamide derivative and synthetic method and application thereof | 20170124 |
US-10357477-B2 | Anticancer compounds | 20160913 |
US-2018071258-A1 | Anticancer compounds | 20160913 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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