| CAS Number | 916911-66-5 |
| Catalog Number | AG01B96R |
| Chemical Name | 2-[3-(2-methylpropoxy)phenyl]acetic acid |
| IUPAC Name | 2-[3-(2-methylpropoxy)phenyl]acetic acid |
| InChI | InChI=1S/C12H16O3/c1-9(2)8-15-11-5-3-4-10(6-11)7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChI Key | FHYDGAOWKXCFHT-UHFFFAOYSA-N |
| MDL Number | MFCD14695264 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CC(COC1=CC(CC(O)=O)=CC=C1)C |
| Synonyms | 2-[3-(2-methylpropoxy)phenyl]acetic Acid,
916911-66-5,
SCHEMBL11805244,
MFCD14695264,
ZINC42417259,
AKOS010657992,
A1-11580,
CID11975052,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number