| CAS Number | 1056639-33-8 |
| Catalog Number | AG01DMIK(AGN-PC-0WOLE3) |
| Chemical Name | 4-(Methoxycarbonyl)-4-Methylcyclohexanecarboxylic Acid |
| IUPAC Name | 4-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C10H16O4/c1-10(9(13)14-2)5-3-7(4-6-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | CMSGDCCPUJIGNT-UHFFFAOYSA-N |
| MDL Number | MFCD26402038 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | CC1(CCC(CC1)C(=O)O)C(=O)OC |
| Synonyms | 4-(methoxycarbonyl)-4-methylcyclohexanecarboxylic acid,
1056639-33-8,
SCHEMBL595271,
SCHEMBL18169491,
SCHEMBL20000454,
CMSGDCCPUJIGNT-UHFFFAOYSA-N,
2525AJ,
MFCD26402038,
ZINC98210624,
FCH2494851,
OR18852,
AS-43242,
DA-15916,
FT-0736371,
1-Methyl-cyclohexane-1,4-dicarboxylic acid monomethyl ester,
C10H16O4,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number