| CAS Number | 264258-60-8 |
| Catalog Number | AG01AIDU(AGN-PC-0WO3MU) |
| Chemical Name | 3-Cyclopentyl-2-methylpropanoic acid |
| IUPAC Name | 3-cyclopentyl-2-methylpropanoic acid |
| InChI | InChI=1S/C9H16O2/c1-7(9(10)11)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | YOQLLMVFOYOIGG-UHFFFAOYSA-N |
| MDL Number | MFCD14651252 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC(C(O)=O)CC1CCCC1 |
| Synonyms | 3-Cyclopentyl-2-methylpropanoic acid,
264258-60-8,
SCHEMBL18050391,
DTXSID80604267,
AKOS008146601,
MCULE-4740416028,
NE25176,
EN300-77518,
A1-08675,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number