| CAS Number | 1251405-62-5 |
| Catalog Number | AG01AUF6 |
| Chemical Name | 2-[3-(But-2-en-1-yloxy)phenyl]acetic acid |
| IUPAC Name | 2-(3-but-2-enoxyphenyl)acetic acid |
| InChI | InChI=1S/C12H14O3/c1-2-3-7-15-11-6-4-5-10(8-11)9-12(13)14/h2-6,8H,7,9H2,1H3,(H,13,14) |
| InChI Key | KYHVQQAMMOHETB-UHFFFAOYSA-N |
| MDL Number | MFCD14658999 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | CC=CCOC1=CC(CC(O)=O)=CC=C1 |
| Synonyms | 2-[3-(but-2-en-1-yloxy)phenyl]acetic acid,
1251405-62-5,
AKOS010658073,
Z2235386808,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number