4-Butoxyphenylacetic acid - CAS 4547-57-3
Catalog: |
BB025888 |
Product Name: |
4-Butoxyphenylacetic acid |
CAS: |
4547-57-3 |
Synonyms: |
2-(4-butoxyphenyl)acetic acid |
IUPAC Name: | 2-(4-butoxyphenyl)acetic acid |
Description: | 4-Butoxyphenylacetic acid (CAS# 4547-57-3) is a useful research chemical. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CCCCOC1=CC=C(C=C1)CC(=O)O |
InChI: | InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14) |
InChI Key: | KLJMYYFCWBVKEE-UHFFFAOYSA-N |
Boiling Point: | 345 °C at 760 mmHg |
Solubility: | Other solvents(Soluble) : Methanol |
MDL: | MFCD00016832 |
LogP: | 2.49260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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CN-111514051-A | Skin-care beauty lotion with antioxidation function | 20200514 |
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PMID | Publication Date | Title | Journal |
3388925 | 19880321 | [Results of a study of the resorption of bufexamac following rectal administration] | Zeitschrift fur Hautkrankheiten |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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