| CAS Number | 55109-26-7 |
| Catalog Number | AG01BNCX(AGN-PC-043L11) |
| Chemical Name | Pentamethylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1,2,2,3,3-pentamethylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O2/c1-7(2)8(3,4)9(7,5)6(10)11/h1-5H3,(H,10,11) |
| InChI Key | CULDOFBSBZAHMP-UHFFFAOYSA-N |
| MDL Number | MFCD20641174 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC1(C(C(O)=O)(C)C1(C)C)C |
| Synonyms | 55109-26-7,
PENTAMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID,
Cyclopropanecarboxylic acid, 1,2,2,3,3-pentamethyl-,
alpha-methyl-TMCA,
1,2,2,3,3-Pentamethylcyclopropane-1-carboxylic acid,
CHEMBL453005,
SCHEMBL3337383,
CTK1F7503,
DTXSID60634406,
AKOS034072195,
Cyclopropanecarboxylic acid, pentamethyl-,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number