3-(3-Fluoro-4-methoxyphenyl)propionic Acid - CAS 69888-90-0
Catalog: |
BB034005 |
Product Name: |
3-(3-Fluoro-4-methoxyphenyl)propionic Acid |
CAS: |
69888-90-0 |
Synonyms: |
3-(3-fluoro-4-methoxyphenyl)propanoic acid; 3-(3-fluoro-4-methoxyphenyl)propanoic acid |
IUPAC Name: | 3-(3-fluoro-4-methoxyphenyl)propanoic acid |
Description: | 3-(3-Fluoro-4-methoxyphenyl)propionic Acid (CAS# 69888-90-0) is a useful research chemical. |
Molecular Weight: | 198.19 |
Molecular Formula: | C10H11FO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)CCC(=O)O)F |
InChI: | InChI=1S/C10H11FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13) |
InChI Key: | KBFWVRMLCVYIRL-UHFFFAOYSA-N |
Boiling Point: | 321.5 °C at 760 mmHg |
Density: | 1.226 g/cm3 |
LogP: | 1.85150 |
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-2021246136-A1 | Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as alpha v integrin inhibitors | 20161108 |
EP-3286183-A1 | Isoxazolyl substituted benzimidazoles | 20150420 |
EP-3286188-A1 | Isoxazolyl substituted imidazopyridines | 20150420 |
EP-3286188-B1 | Isoxazolyl substituted imidazopyridines | 20150420 |
ES-2726717-T3 | Isoxazolyl substituted imidazopyridines | 20150420 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.06922237 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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