| CAS Number | 72335-50-3 |
| Catalog Number | AG01C197(AGN-PC-0NJRFB) |
| Chemical Name | 1-(prop-2-en-1-yl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-prop-2-enylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C10H16O2/c1-2-6-10(9(11)12)7-4-3-5-8-10/h2H,1,3-8H2,(H,11,12) |
| InChI Key | UDJNPRFNQMRERB-UHFFFAOYSA-N |
| MDL Number | MFCD20638328 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | OC(C1(CCCCC1)CC=C)=O |
| Synonyms | 1-(prop-2-en-1-yl)cyclohexane-1-carboxylic acid,
1-Allylcyclohexanecarboxylic acid,
72335-50-3,
SCHEMBL2005168,
UDJNPRFNQMRERB-UHFFFAOYSA-N,
1-allyl-1-cyclohexylcarboxylic acid,
ZINC39259280,
AKOS017532212,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number