| CAS Number | 14250-73-8 |
| Catalog Number | AG007L3O(AGN-PC-0MTR5I) |
| Chemical Name | 2,2-Dimethylheptanoic acid |
| IUPAC Name | 2,2-dimethylheptanoic acid |
| InChI | InChI=1S/C9H18O2/c1-4-5-6-7-9(2,3)8(10)11/h4-7H2,1-3H3,(H,10,11) |
| InChI Key | QRMMMWOSHHVOCJ-UHFFFAOYSA-N |
| MDL Number | MFCD00128234 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CCCCCC(C(O)=O)(C)C |
| Synonyms | 2,2-dimethylheptanoic acid,
14250-73-8,
Heptanoic acid,2,2-dimethyl-,
2,2-dimethyl-heptanoic acid,
2,2-Dimethyl heptanoic acid,
SCHEMBL301865,
CTK4C3156,
DTXSID40430943,
ZINC2582019,
AKOS012031529,
MCULE-7728669545,
NE11264,
SC-50327,
FT-0691341,
Z1374788808,
CID9801869,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number