| CAS Number | 873458-57-2 |
| Catalog Number | AG01A6JF(AGN-PC-03ZHMI) |
| Chemical Name | 4-(Dimethylcarbamoyl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 4-(dimethylcarbamoyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C10H17NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14) |
| InChI Key | LZSWPZWDUZTSDZ-UHFFFAOYSA-N |
| MDL Number | MFCD18887124 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | CN(C(C1CCC(C(O)=O)CC1)=O)C |
| Synonyms | 4-(dimethylcarbamoyl)cyclohexane-1-carboxylic acid,
873458-57-2,
SCHEMBL2950683,
SCHEMBL2950685,
Cyclohexanecarboxylic acid, 4-[(dimethylamino)carbonyl]-,
LZSWPZWDUZTSDZ-UHFFFAOYSA-N,
LZSWPZWDUZTSDZ-ZKCHVHJHSA-N,
ZINC59627136,
AKOS013095327,
MCULE-4329464746,
4-dimethylcarbamoylcyclohexanecarboxylic acid,
F8889-2244,
Z1769859577,
Trans-4-[(dimethylamino)carbonyl]cyclohexane-carboxylic acid,
Trans-4-[(dimethylamino)carbonyl]cyclohexanecarboxylic acid,
4-(dimethylcarbamoyl)cyclohexanecarboxylic acid,
727737-06-6,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number