| CAS Number | 1314766-31-8 |
| Catalog Number | AG019SGY(AGN-PC-0WO3X2) |
| Chemical Name | 1-(3-Cyanophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(3-cyanophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c12-7-8-2-1-3-9(6-8)11(4-5-11)10(13)14/h1-3,6H,4-5H2,(H,13,14) |
| InChI Key | ICGZKUFFMLSNKA-UHFFFAOYSA-N |
| MDL Number | MFCD19693228 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | OC(C1(C2=CC(C#N)=CC=C2)CC1)=O |
| Synonyms | 1-(3-cyanophenyl)cyclopropane-1-carboxylic acid,
1314766-31-8,
SCHEMBL10083343,
ZINC82160239,
AKOS025967982,
MCULE-5800358343,
NE53955,
Z1470841044,
|
| Complexity | 298 |
| 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