| CAS Number | 1094478-22-4 |
| Catalog Number | AG01AFHV(AGN-PC-0WO25Z) |
| Chemical Name | 1-(4-Cyanophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-cyanophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c12-7-8-1-3-9(4-2-8)11(5-6-11)10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChI Key | BWTXRFMQBHLPSR-UHFFFAOYSA-N |
| MDL Number | MFCD19693306 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | N#CC(C=C1)=CC=C1C2(C(O)=O)CC2 |
| Synonyms | 1-(4-cyanophenyl)cyclopropane-1-carboxylic acid,
1094478-22-4,
SCHEMBL15386620,
ZINC95883891,
AKOS026302593,
MCULE-5239345218,
NE35109,
Z1753013028,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number