2-(2-Ethoxy-4-formylphenoxy)acetic acid - CAS 51264-76-7
Catalog: |
BB044944 |
Product Name: |
2-(2-Ethoxy-4-formylphenoxy)acetic acid |
CAS: |
51264-76-7 |
Synonyms: |
(2-ethoxy-4-formylphenoxy)acetic acid; 4-Formyl-2-ethoxyphenoxyacetic acid; Acetic acid, 2-(2-ethoxy-4-formylphenoxy)- |
IUPAC Name: | 2-(2-ethoxy-4-formylphenoxy)acetic acid |
Description: | 2-(2-Ethoxy-4-formylphenoxy)acetic acid (CAS# 51264-76-7 ) is a useful research chemical. |
Molecular Weight: | 224.21 |
Molecular Formula: | C11H12O5 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C=O)OCC(=O)O |
InChI: | InChI=1S/C11H12O5/c1-2-15-10-5-8(6-12)3-4-9(10)16-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14) |
InChI Key: | BALVFSVIEQRSSY-UHFFFAOYSA-N |
Boiling Point: | 403.9±30.0 °C (Predicted) |
Melting Point: | 180 °C |
Purity: | 97 % |
Density: | 1.268±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: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.06847348 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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