3-(2-Chloro-3-methoxyphenyl)propionic acid - CAS 853331-56-3
Catalog: |
BB037591 |
Product Name: |
3-(2-Chloro-3-methoxyphenyl)propionic acid |
CAS: |
853331-56-3 |
Synonyms: |
3-(2-chloro-3-methoxyphenyl)propanoic acid |
IUPAC Name: | 3-(2-chloro-3-methoxyphenyl)propanoic acid |
Description: | 3-(2-Chloro-3-methoxyphenyl)propionic acid (CAS# 853331-56-3 ) is a useful research chemical. |
Molecular Weight: | 214.65 |
Molecular Formula: | C10H11ClO3 |
Canonical SMILES: | COC1=CC=CC(=C1Cl)CCC(=O)O |
InChI: | InChI=1S/C10H11ClO3/c1-14-8-4-2-3-7(10(8)11)5-6-9(12)13/h2-4H,5-6H2,1H3,(H,12,13) |
InChI Key: | FIOFIGKOEGZNIK-UHFFFAOYSA-N |
MDL: | MFCD07799635 |
LogP: | 2.36580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2542549-A2 | Inhibitors of glutaminyl cyclase | 20100303 |
EP-2542549-B1 | Inhibitors of glutaminyl cyclase | 20100303 |
JP-2013521260-A | Inhibitors of glutaminyl cyclase | 20100303 |
JP-6026284-B2 | Inhibitors of glutaminyl cyclase | 20100303 |
US-2011224259-A1 | Novel inhibitors | 20100303 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0396719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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