| CAS Number | 1000567-84-9 |
| Catalog Number | AG01AB5H |
| Chemical Name | 2-(3-[(2-Methylphenyl)methoxy]phenyl)acetic acid |
| IUPAC Name | 2-[3-[(2-methylphenyl)methoxy]phenyl]acetic acid |
| InChI | InChI=1S/C16H16O3/c1-12-5-2-3-7-14(12)11-19-15-8-4-6-13(9-15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18) |
| InChI Key | CUNXDTUAQMRCRX-UHFFFAOYSA-N |
| MDL Number | MFCD09925286 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | CC1=C(COC2=CC(CC(O)=O)=CC=C2)C=CC=C1 |
| Synonyms | 2-{3-[(2-methylphenyl)methoxy]phenyl}acetic acid,
1000567-84-9,
AC1Q2FCR,
ZINC44375511,
AKOS010658060,
MCULE-8402115390,
NE39269,
EN300-70523,
Z1259273093,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number