| CAS Number | 540521-54-8 |
| Catalog Number | AG01BE4L(AGN-PC-0WOQWI) |
| Chemical Name | 6-(Cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid |
| IUPAC Name | 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid |
| InChI | InChI=1S/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15) |
| InChI Key | IGBLGCCLFYDMDG-UHFFFAOYSA-N |
| MDL Number | MFCD03361803 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | C1(CC1)NC(=O)C1CC=CCC1C(=O)O |
| Synonyms | 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic Acid,
540521-54-8,
AC1MU6VQ,
SCHEMBL13544553,
AKOS003846109,
MCULE-2145105101,
NE48302,
Z1868316830,
CID3613672,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number