| CAS Number | 104131-82-0 |
| Catalog Number | AG019ZTY(AGN-PC-00NNFW) |
| Chemical Name | 1-Propylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1-propylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O2/c1-2-3-7(4-5-7)6(8)9/h2-5H2,1H3,(H,8,9) |
| InChI Key | XNYKYSLUVNHCPY-UHFFFAOYSA-N |
| MDL Number | MFCD19229807 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CCCC1(C(O)=O)CC1 |
| Synonyms | 1-propylcyclopropane-1-carboxylic acid,
104131-82-0,
propylcyclo-propanecarboxylic,
SCHEMBL3153596,
XNYKYSLUVNHCPY-UHFFFAOYSA-N,
1-n-Propylcyclopropanecarboxylic acid,
ZINC34129804,
AKOS006379865,
MCULE-3737695448,
NE52415,
RP19798,
Z1416282797,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number