| CAS Number | 87359-70-4 |
| Catalog Number | AG004KP2(AGN-PC-00MM0H) |
| Chemical Name | 4-Methoxy-2-propoxybenzoic acid |
| IUPAC Name | 4-methoxy-2-propoxybenzoic acid |
| InChI | InChI=1S/C11H14O4/c1-3-6-15-10-7-8(14-2)4-5-9(10)11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13) |
| InChI Key | ISQXIGUSUAIWIV-UHFFFAOYSA-N |
| MDL Number | MFCD09704254 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | CCCOC1=C(C(O)=O)C=CC(OC)=C1 |
| Synonyms | 4-methoxy-2-propoxybenzoic acid,
87359-70-4,
Benzoic acid, 4-methoxy-2-propoxy-,
SCHEMBL7290141,
CTK3C4570,
DTXSID20541187,
ZINC11952024,
AKOS009075919,
NE32618,
A1-05436,
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| Complexity | 205 |
| 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 | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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