| CAS Number | 1282285-88-4 |
| Catalog Number | AG01C9CS |
| Chemical Name | 2-(Cycloheptyloxy)acetic acid |
| IUPAC Name | 2-cycloheptyloxyacetic acid |
| InChI | InChI=1S/C9H16O3/c10-9(11)7-12-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,10,11) |
| InChI Key | JUNHIRNDPUQVDY-UHFFFAOYSA-N |
| MDL Number | MFCD12784904 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | OC(COC1CCCCCC1)=O |
| Synonyms | 2-(cycloheptyloxy)acetic acid,
1282285-88-4,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number