| CAS Number | 1093214-56-2 |
| Catalog Number | AG01EK7T |
| Chemical Name | 4-(cyclopropylmethyl)benzoic acid |
| IUPAC Name | 4-(cyclopropylmethyl)benzoic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,12,13) |
| InChI Key | PRQDVTYKDOKDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD20660132 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | OC(C1=CC=C(CC2CC2)C=C1)=O |
| Synonyms | 4-(cyclopropylmethyl)benzoic acid.,
1093214-56-2,
SCHEMBL2812600,
4-(cyclopropylmethyl)benzoic acid,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number