| CAS Number | 345633-14-9 |
| Catalog Number | AG019Y9X(AGN-PC-0IQTQ4) |
| Chemical Name | 2-[1-(Ethoxycarbonyl)cyclobutyl]acetic Acid |
| IUPAC Name | 2-(1-ethoxycarbonylcyclobutyl)acetic acid |
| InChI | InChI=1S/C9H14O4/c1-2-13-8(12)9(4-3-5-9)6-7(10)11/h2-6H2,1H3,(H,10,11) |
| InChI Key | MPGWAENNQRIXRW-UHFFFAOYSA-N |
| MDL Number | MFCD20660713 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | CCOC(C1(CCC1)CC(O)=O)=O |
| Synonyms | 2-[1-(ethoxycarbonyl)cyclobutyl]acetic acid,
345633-14-9,
SCHEMBL7487765,
ZINC96300979,
AKOS026744827,
NE51165,
2-(1-(ethoxycarbonyl)cyclobutyl)acetic acid,
|
| Complexity | 218 |
| 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 | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number