| CAS Number | 220876-15-3 |
| Catalog Number | AG01A008(AGN-PC-0WO3SX) |
| Chemical Name | 1-(2-Methoxyethyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O3/c1-12-7-6-9(8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11) |
| InChI Key | LOKFPRJORFMFNY-UHFFFAOYSA-N |
| MDL Number | MFCD16855634 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | COCCC1(C(O)=O)CCCC1 |
| Synonyms | 1-(2-methoxyethyl)cyclopentane-1-carboxylic acid,
220876-15-3,
Cyclopentanecarboxylic acid, 1-(2-methoxyethyl)-,
SCHEMBL3877084,
LOKFPRJORFMFNY-UHFFFAOYSA-N,
ZINC54632528,
AKOS012032259,
MCULE-2269186937,
NE23348,
RP23463,
1-(2-methoxyethyl)cyclopentane carboxylic acid,
Z1431002645,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number