3-(3-Chloro-4-methoxyphenyl)propionic acid - CAS 1857-56-3
Catalog: |
BB014244 |
Product Name: |
3-(3-Chloro-4-methoxyphenyl)propionic acid |
CAS: |
1857-56-3 |
Synonyms: |
3-(3-chloro-4-methoxyphenyl)propanoic acid |
IUPAC Name: | 3-(3-chloro-4-methoxyphenyl)propanoic acid |
Description: | 3-(3-Chloro-4-methoxyphenyl)propionic acid (CAS# 1857-56-3 ) is a useful research chemical. |
Molecular Weight: | 214.65 |
Molecular Formula: | C10H11ClO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)CCC(=O)O)Cl |
InChI: | InChI=1S/C10H11ClO3/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: | MAYOFTZUJPQKET-UHFFFAOYSA-N |
Boiling Point: | 346.5 ℃ at 760 mmHg |
Density: | 1.267 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD05865217 |
LogP: | 2.36580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201329061-A | Chromane derivatives as TRPV3 modulators | 20120109 |
KR-20130040284-A | Chromane Derivatives as TRP3 Modulators | 20111014 |
EP-2542549-A2 | Inhibitors of glutaminyl cyclase | 20100303 |
EP-2542549-B1 | Inhibitors of glutaminyl cyclase | 20100303 |
ES-2586231-T3 | Glutaminyl cyclase 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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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