Benzyloxyacetic acid - CAS 30379-55-6
Catalog: |
BB020578 |
Product Name: |
Benzyloxyacetic acid |
CAS: |
30379-55-6 |
Synonyms: |
2-phenylmethoxyacetic acid |
IUPAC Name: | 2-phenylmethoxyacetic acid |
Description: | Benzyloxyacetic acid (CAS# 30379-55-6) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)COCC(=O)O |
InChI: | InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
InChI Key: | GRZHHTYDZVRPIC-UHFFFAOYSA-N |
Boiling Point: | 137-139 °C (0.6 mmHg) |
Density: | 1.162 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00274211 |
LogP: | 1.28780 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021309651-A1 | Lpxc inhibitor and methods of making | 20200325 |
WO-2021195260-A1 | Lpxc inhibitor and methods of making | 20200325 |
CN-113354590-A | Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway | 20200305 |
WO-2021160109-A1 | Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof | 20200213 |
WO-2021152165-A1 | Macrocyclic rip2-kinase inhibitors | 20200131 |
PMID | Publication Date | Title | Journal |
19930426 | 20100401 | Efficacy of butyrate analogues in HT-29 cancer cells | Clinical and experimental pharmacology & physiology |
21202757 | 20080607 | Diaqua-bis[2-(benzyl-oxy)acetato]cobalt(II) | Acta crystallographica. Section E, Structure reports online |
21202226 | 20080423 | Diaqua-bis(benzyl-oxyacetato)copper(II) | Acta crystallographica. Section E, Structure reports online |
21202238 | 20080423 | Poly[bis-(μ(2)-benzyl-oxyacetato-κO,O':O'')cadmium(II)] | Acta crystallographica. Section E, Structure reports online |
11592822 | 20010901 | Evaluation of pharmacological induction of fatty acid beta-oxidation in X-linked adrenoleukodystrophy | Molecular genetics and metabolism |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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