| CAS Number | 148215-77-4 |
| Catalog Number | AG00AT3U(AGN-PC-0033SO) |
| Chemical Name | 2-(Cyclopentyloxy)benzoic acid |
| IUPAC Name | 2-cyclopentyloxybenzoic acid |
| InChI | InChI=1S/C12H14O3/c13-12(14)10-7-3-4-8-11(10)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14) |
| InChI Key | RNMYGQSMHXPHFD-UHFFFAOYSA-N |
| MDL Number | MFCD09727764 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C(O)C1=CC=CC=C1OC2CCCC2 |
| Synonyms | 2-(cyclopentyloxy)benzoic acid,
148215-77-4,
AC1Q73NV,
SCHEMBL3059220,
CTK7I9044,
Benzoic acid, 2-(cyclopentyloxy)-,
ZINC9237053,
MFCD09727764,
AKOS000137142,
MCULE-9663861702,
NE46774,
AS-45871,
EN300-74252,
Z1259339776,
|
| Complexity | 221 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number