| CAS Number | 32444-32-9 |
| Catalog Number | AG007G5A(AGN-PC-0AMB24) |
| Chemical Name | 2-Ethyl-3-methylbutanoic acid |
| IUPAC Name | 2-ethyl-3-methylbutanoic acid |
| InChI | InChI=1S/C7H14O2/c1-4-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChI Key | XJCPTWKSNPIJRN-UHFFFAOYSA-N |
| MDL Number | MFCD02258633 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | CCC(C(O)=O)C(C)C |
| Synonyms | 2-ETHYL-3-METHYLBUTANOIC ACID,
32444-32-9,
2-Isopropylbutyric acid,
SCHEMBL112582,
2-ethyl-3-methyl butanoic acid,
CTK1C2049,
DTXSID40449494,
AKOS010365345,
2-ethyl-3-methyl-butanoic Acid,
Butanoicacid, 2-ethyl-3-methyl-,
2-ETHYL-3-METHYLBUTANOICACID,
ACN-039610,
CID10953545,
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| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.187g/mol |
| Monoisotopic Mass | 130.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number