4-[(2-Methoxyphenoxy)methyl]benzoic acid - CAS 149288-68-6
Catalog: |
BB044644 |
Product Name: |
4-[(2-Methoxyphenoxy)methyl]benzoic acid |
CAS: |
149288-68-6 |
Synonyms: |
Benzoic acid, 4-(2-methoxyphenoxymethyl)- |
IUPAC Name: | 4-(2-Methoxyphenoxymethyl)benzoic acid |
Description: | 4-[(2-Methoxyphenoxy)methyl]benzoic acid (CAS# 149288-68-6 ) is a useful research chemical. |
Molecular Weight: | 258.27 |
Molecular Formula: | C15H14O4 |
Canonical SMILES: | COC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C15H14O4/c1-18-13-4-2-3-5-14(13)19-10-11-6-8-12(9-7-11)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
InChI Key: | SZABCMZDYAYHHS-UHFFFAOYSA-N |
Boiling Point: | 421.7±30.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.225±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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