| CAS Number | 1154276-55-7 |
| Catalog Number | AG01BD8A |
| Chemical Name | 2-(benzyloxy)-4-propoxybenzoic acid |
| IUPAC Name | 2-phenylmethoxy-4-propoxybenzoic acid |
| InChI | InChI=1S/C17H18O4/c1-2-10-20-14-8-9-15(17(18)19)16(11-14)21-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,18,19) |
| InChI Key | ITOIQHPSDKKREF-UHFFFAOYSA-N |
| MDL Number | MFCD13707021 |
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.3224 |
| SMILES | CCCOC1=CC(OCC2=CC=CC=C2)=C(C(O)=O)C=C1 |
| Synonyms | 2-(benzyloxy)-4-propoxybenzoic acid,
1154276-55-7,
ZINC35414218,
AKOS009531407,
MCULE-1858093153,
NE29145,
Z1834278396,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.327g/mol |
| Monoisotopic Mass | 286.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number