| CAS Number | 1292690-31-3 |
| Catalog Number | AG01BCYF |
| Chemical Name | 2-(Cyclopentyloxy)-4-methoxybenzoic acid |
| IUPAC Name | 2-cyclopentyloxy-4-methoxybenzoic acid |
| InChI | InChI=1S/C13H16O4/c1-16-10-6-7-11(13(14)15)12(8-10)17-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,14,15) |
| InChI Key | XEGGHWSJAZDNJQ-UHFFFAOYSA-N |
| MDL Number | MFCD13475649 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | COC1=CC(OC2CCCC2)=C(C(O)=O)C=C1 |
| Synonyms | 2-(cyclopentyloxy)-4-methoxybenzoic acid,
1292690-31-3,
ZINC42372639,
AKOS010521310,
MCULE-5656873109,
NE44491,
Z1839481139,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number