| CAS Number | 1250624-45-3 |
| Catalog Number | AG01AANN(AGN-PC-0WO39W) |
| Chemical Name | 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C9H13NO3/c11-7(10-6-2-3-6)9(8(12)13)4-1-5-9/h6H,1-5H2,(H,10,11)(H,12,13) |
| InChI Key | DEHYACBCPSCXRH-UHFFFAOYSA-N |
| MDL Number | MFCD16669513 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| SMILES | OC(C1(C(NC2CC2)=O)CCC1)=O |
| Synonyms | 1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid,
1250624-45-3,
AC1Q71Z3,
ZINC50289627,
AKOS011374314,
MCULE-6345075286,
NE61346,
EN300-69106,
Z1259273141,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number