4-Acetylphenoxyacetic acid - CAS 1878-81-5
Catalog: |
BB014461 |
Product Name: |
4-Acetylphenoxyacetic acid |
CAS: |
1878-81-5 |
Synonyms: |
2-(4-acetylphenoxy)acetic acid |
IUPAC Name: | 2-(4-acetylphenoxy)acetic acid |
Description: | 4-Acetylphenoxyacetic acid (CAS# 1878-81-5) is a useful research chemical. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)OCC(=O)O |
InChI: | InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13) |
InChI Key: | KMXZEXUYXUMHEQ-UHFFFAOYSA-N |
Boiling Point: | 380.5 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
Solubility: | Water : Insoluble |
Appearance: | White to off-white powder |
MDL: | MFCD00014363 |
LogP: | 1.35260 |
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 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2021079036-A1 | Compositions and methods for chemical synthesis | 20180531 |
CA-3048827-A1 | Monoterpenoid/phenylpropanoid-containing compounds and methods of their making and use as herbicides | 20160823 |
CA-3048834-A1 | Monoterpenoid/phenylpropanoid containing compounds and methods of their making and use as insecticidal baits | 20160823 |
EP-3503725-A1 | Monoterpenoid/phenylpropanoid containing compounds and methods of their making and use as insecticidal baits | 20160823 |
PMID | Publication Date | Title | Journal |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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