| CAS Number | 14276-86-9 |
| Catalog Number | AG01AIDS(AGN-PC-0WO8QK) |
| Chemical Name | 2-(Cyclopentylmethyl)butanoic acid |
| IUPAC Name | 2-(cyclopentylmethyl)butanoic acid |
| InChI | InChI=1S/C10H18O2/c1-2-9(10(11)12)7-8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,11,12) |
| InChI Key | BWANPEYEQQDRFW-UHFFFAOYSA-N |
| MDL Number | MFCD14694965 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | C1(CCCC1)CC(C(=O)O)CC |
| Synonyms | 2-(cyclopentylmethyl)butanoic acid,
14276-86-9,
SCHEMBL13747226,
AKOS010599475,
MCULE-1144684182,
NE26777,
EN300-77516,
A1-09998,
Z1259339765,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number