| CAS Number | 54378-87-9 |
| Catalog Number | AG01AMSN(AGN-PC-0JD7TE) |
| Chemical Name | 1,1-CYCLOPENTANEDICARBOXYLIC ACID 1-ETHYL ESTER |
| IUPAC Name | 1-ethoxycarbonylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C9H14O4/c1-2-13-8(12)9(7(10)11)5-3-4-6-9/h2-6H2,1H3,(H,10,11) |
| InChI Key | SMIYHPHDBDKZTR-UHFFFAOYSA-N |
| MDL Number | MFCD20484499 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | C(C)OC(=O)C1(CCCC1)C(=O)O |
| Synonyms | 54378-87-9,
1,1-Cyclopentanedicarboxylic acid 1-ethyl ester,
1-(ethoxycarbonyl)cyclopentane-1-carboxylic acid,
1,1-cyclopentanedicarboxylic acid monoethyl ester,
SCHEMBL7369559,
SMIYHPHDBDKZTR-UHFFFAOYSA-N,
ZINC83257065,
AKOS022962900,
1-(Ethoxycarbonyl)cyclopentanecarboxylic acid,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number