| CAS Number | 1291989-23-5 |
| Catalog Number | AG01A3Q0 |
| Chemical Name | 2-[3-(3-phenoxypropoxy)phenyl]acetic acid |
| IUPAC Name | 2-[3-(3-phenoxypropoxy)phenyl]acetic acid |
| InChI | InChI=1S/C17H18O4/c18-17(19)13-14-6-4-9-16(12-14)21-11-5-10-20-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H,18,19) |
| InChI Key | YFNFXBRSLAFSQT-UHFFFAOYSA-N |
| MDL Number | MFCD23144062 |
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.3224 |
| SMILES | OC(CC1=CC(OCCCOC2=CC=CC=C2)=CC=C1)=O |
| Synonyms | 2-[3-(3-phenoxypropoxy)phenyl]acetic acid,
1291989-23-5,
ZINC48806453,
AKOS010657804,
MCULE-1842615036,
NE45233,
Z1551900878,
|
| Complexity | 299 |
| 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 | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number