| CAS Number | 946707-55-7 |
| Catalog Number | AG00IIFO(AGN-PC-0WOKWF) |
| Chemical Name | 4-(3-Methoxypropoxy)benzoic acid |
| IUPAC Name | 4-(3-methoxypropoxy)benzoic acid |
| InChI | InChI=1S/C11H14O4/c1-14-7-2-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13) |
| InChI Key | CHURMVNLEIRYIC-UHFFFAOYSA-N |
| MDL Number | MFCD12762368 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | COCCCOC1=CC=C(C(O)=O)C=C1 |
| Synonyms | 4-(3-methoxypropoxy)benzoic acid,
946707-55-7,
SCHEMBL2882011,
ZINC8731422,
AKOS000102088,
MCULE-2254791694,
NE29453,
Z274740350,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number