| CAS Number | 1216230-18-0 |
| Catalog Number | AG01DQT6(AGN-PC-0FET2O) |
| Chemical Name | Benzo[d][1,3]dioxol-5-yl(cyclopentyl)methanol |
| IUPAC Name | 1,3-benzodioxol-5-yl(cyclopentyl)methanol |
| InChI | InChI=1S/C13H16O3/c14-13(9-3-1-2-4-9)10-5-6-11-12(7-10)16-8-15-11/h5-7,9,13-14H,1-4,8H2 |
| InChI Key | HUEXNQXGJDCZDN-UHFFFAOYSA-N |
| MDL Number | MFCD14530316 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | OC(C1=CC=C(OCO2)C2=C1)C3CCCC3 |
| Synonyms | (2H-1,3-benzodioxol-5-yl)(cyclopentyl)methanol,
1216230-18-0,
AKOS013209762,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number