| CAS Number | 92116-88-6 |
| Catalog Number | AG00H0QD(AGN-PC-00KKXA) |
| Chemical Name | 2-Carbamoylcyclobutanecarboxylic acid |
| IUPAC Name | 2-carbamoylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H9NO3/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10) |
| InChI Key | VDJJUSIEPJADBA-UHFFFAOYSA-N |
| MDL Number | MFCD19211712 |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| SMILES | NC(C1C(C(O)=O)CC1)=O |
| Synonyms | 92116-88-6,
2-Carbamoylcyclobutanecarboxylic acid,
2-carbamoylcyclobutane-1-carboxylic acid,
Cyclobutanecarboxylic acid, 2-(aminocarbonyl)- (9CI),
SCHEMBL13544498,
AKOS006362617,
2-(aminocarbonyl)Cyclobutanecarboxylic acid,
FT-0708880,
Z2160887173,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.142g/mol |
| Monoisotopic Mass | 143.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number