| CAS Number | 1258649-85-2 |
| Catalog Number | AG01AB6Z |
| Chemical Name | 2-(3-[(3-Methylphenyl)methoxy]phenyl)acetic acid |
| IUPAC Name | 2-[3-[(3-methylphenyl)methoxy]phenyl]acetic acid |
| InChI | InChI=1S/C16H16O3/c1-12-4-2-6-14(8-12)11-19-15-7-3-5-13(9-15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18) |
| InChI Key | IENBZWWZZNLVCT-UHFFFAOYSA-N |
| MDL Number | MFCD16385746 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | CC1=CC(COC2=CC(CC(O)=O)=CC=C2)=CC=C1 |
| Synonyms | 2-{3-[(3-methylphenyl)methoxy]phenyl}acetic acid,
1258649-85-2,
AC1Q2IOY,
ZINC48806013,
AKOS010658048,
MCULE-5958830379,
NE41360,
EN300-70648,
Z1259273089,
|
| 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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number