| CAS Number | 1016804-29-7 |
| Catalog Number | AG01B7T8 |
| Chemical Name | 4-[(cyclohex-3-en-1-yl)formamido]butanoic acid |
| IUPAC Name | 4-(cyclohex-3-ene-1-carbonylamino)butanoic acid |
| InChI | InChI=1S/C11H17NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-2,9H,3-8H2,(H,12,15)(H,13,14) |
| InChI Key | NRBQTIYXSTVFTD-UHFFFAOYSA-N |
| MDL Number | MFCD09949909 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | OC(CCCNC(C1CC=CCC1)=O)=O |
| Synonyms | 4-(cyclohex-3-en-1-ylformamido)butanoic acid,
1016804-29-7,
AKOS000196014,
AKOS017272022,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number