| CAS Number | 99978-03-7 |
| Catalog Number | AG01DWY4(AGN-PC-0JSQKE) |
| Chemical Name | Butyl cyclopentanecarboxylate |
| IUPAC Name | butyl cyclopentanecarboxylate |
| InChI | InChI=1S/C10H18O2/c1-2-3-8-12-10(11)9-6-4-5-7-9/h9H,2-8H2,1H3 |
| InChI Key | IKCDCPXVBMDVFU-UHFFFAOYSA-N |
| MDL Number | MFCD23715446 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | CCCCOC(C1CCCC1)=O |
| Synonyms | Butyl cyclopentanecarboxylate,
99978-03-7,
IKCDCPXVBMDVFU-UHFFFAOYSA-N,
cyclopentanecarboxylic acid butyl ester,
AC1LB2R4,
SCHEMBL187699,
Butyl cyclopentanecarboxylate #,
AKOS034079770,
CID550335,
Cyclopentanecarboxylic acid, butyl ester,
|
| Complexity | 137 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number