3-Benzyloxybenzoic acid - CAS 69026-14-8
Catalog: |
BB033675 |
Product Name: |
3-Benzyloxybenzoic acid |
CAS: |
69026-14-8 |
Synonyms: |
3-phenylmethoxybenzoic acid |
IUPAC Name: | 3-phenylmethoxybenzoic acid |
Description: | 3-Benzyloxybenzoic acid (CAS# 69026-14-8) is a reagent used to synthesize (hydroxyphenyl)pyrrolidinylquinolinone as anticancer lead. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C14H12O3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16) |
InChI Key: | CISXCTKEQYOZAM-UHFFFAOYSA-N |
Boiling Point: | 408.8 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00527901 |
LogP: | 2.96380 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111995567-A | Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof | 20200724 |
CN-111254457-A | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
CN-111254457-B | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
WO-2021000862-A1 | Akr1c3 inhibitor and medical use | 20190701 |
WO-2020228685-A1 | Fluorine-containing compound and anti-cancer medical use thereof | 20190513 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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