| CAS Number | 1249301-51-6 |
| Catalog Number | AG01BEBS(AGN-PC-0WOQXC) |
| Chemical Name | 1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H15NO3/c1-6(2)10(3)7(11)9(4-5-9)8(12)13/h6H,4-5H2,1-3H3,(H,12,13) |
| InChI Key | KHUJCPIZXYPAQU-UHFFFAOYSA-N |
| MDL Number | MFCD16669536 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | CC(N(C(C1(C(O)=O)CC1)=O)C)C |
| Synonyms | 1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid,
1249301-51-6,
ZINC50289702,
AKOS011375714,
NE55071,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number