| CAS Number | 1251251-50-9 |
| Catalog Number | AG01AIUA(AGN-PC-0WO5W2) |
| Chemical Name | 2-(cyclopentylmethyl)-3-methylbutanoic acid |
| IUPAC Name | 2-(cyclopentylmethyl)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H20O2/c1-8(2)10(11(12)13)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,12,13) |
| InChI Key | SPIOVZORWGHRTD-UHFFFAOYSA-N |
| MDL Number | MFCD14694967 |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.2753 |
| SMILES | CC(C(C(O)=O)CC1CCCC1)C |
| Synonyms | 2-(cyclopentylmethyl)-3-methylbutanoic acid,
1251251-50-9,
AKOS008146629,
MCULE-7479563184,
NE48124,
EN300-79045,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.279g/mol |
| Monoisotopic Mass | 184.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number