3-(4-Ethylphenyl)propionic Acid - CAS 64740-36-9
Catalog: |
BB032547 |
Product Name: |
3-(4-Ethylphenyl)propionic Acid |
CAS: |
64740-36-9 |
Synonyms: |
3-(4-ethylphenyl)propanoic acid; 3-(4-ethylphenyl)propanoic acid |
IUPAC Name: | 3-(4-ethylphenyl)propanoic acid |
Description: | 3-(4-Ethylphenyl)propionic Acid (CAS# 64740-36-9) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CCC1=CC=C(C=C1)CCC(=O)O |
InChI: | InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13) |
InChI Key: | MUQCDEGKKWQCAO-UHFFFAOYSA-N |
Boiling Point: | 304 ℃ at 760 mmHg |
Density: | 1.072 g/cm3 |
MDL: | MFCD03425687 |
LogP: | 2.26620 |
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-2021024489-A1 | Treatment and prevention of neuropathic pain with p2y14 antagonists | 20190723 |
WO-2020227105-A1 | Anti-bcma antibody conjugates | 20190503 |
WO-2020227110-A1 | Anti-bcma antibody conjugate, compositions comprising the same, and methods of making and using the same | 20190503 |
US-2021047293-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
EP-3286183-A1 | Isoxazolyl substituted benzimidazoles | 20150420 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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