| CAS Number | 1267443-61-7 |
| Catalog Number | AG01B4XZ |
| Chemical Name | 3-cyclopropanecarbonylbenzoic acid |
| IUPAC Name | 3-(cyclopropanecarbonyl)benzoic acid |
| InChI | InChI=1S/C11H10O3/c12-10(7-4-5-7)8-2-1-3-9(6-8)11(13)14/h1-3,6-7H,4-5H2,(H,13,14) |
| InChI Key | SOSVRSIEZKEXHF-UHFFFAOYSA-N |
| MDL Number | MFCD19314318 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | OC(C1=CC(C(C2CC2)=O)=CC=C1)=O |
| Synonyms | 3-cyclopropanecarbonylbenzoic acid,
1267443-61-7,
ZINC49806543,
AKOS022342730,
Z2509351080,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number