| CAS Number | 1989672-04-9 |
| Catalog Number | AG01B6KS |
| Chemical Name | 3-[1-(2-carboxyethyl)cyclopropyl]propanoic acid |
| IUPAC Name | 3-[1-(2-carboxyethyl)cyclopropyl]propanoic acid |
| InChI | InChI=1S/C9H14O4/c10-7(11)1-3-9(5-6-9)4-2-8(12)13/h1-6H2,(H,10,11)(H,12,13) |
| InChI Key | YTNFZCRMQDLXSV-UHFFFAOYSA-N |
| MDL Number | MFCD30342873 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | OC(CCC1(CC1)CCC(O)=O)=O |
| Synonyms | 3-[1-(2-carboxyethyl)cyclopropyl]propanoic acid,
1989672-04-9,
AKOS033947778,
ZINC521398351,
Z2582143699,
|
| Complexity | 198 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number