| CAS Number | 90843-58-6 |
| Catalog Number | AG01C3O2 |
| Chemical Name | 1-Phenoxycyclopropane-1-carboxylic acid |
| IUPAC Name | 1-phenoxycyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H10O3/c11-9(12)10(6-7-10)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChI Key | RBJBRZSEKONGLS-UHFFFAOYSA-N |
| MDL Number | MFCD20650826 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | OC(C1(OC2=CC=CC=C2)CC1)=O |
| Synonyms | 1-phenoxycyclopropane-1-carboxylic acid,
90843-58-6,
ZINC85395019,
AKOS023673658,
MCULE-1047902490,
Z2350905873,
1-Phenoxy-cyclopropanecarboxylic acid,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number