| CAS Number | 5868-33-7 |
| Catalog Number | AG00EAYS(AGN-PC-00POR1) |
| Chemical Name | 2,4-Dimethylpentanoicacid |
| IUPAC Name | 2,4-dimethylpentanoic acid |
| InChI | InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9) |
| InChI Key | XMKDPSQQDXTCCK-UHFFFAOYSA-N |
| MDL Number | MFCD02258587 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | CC(C)CC(C)C(O)=O |
| Synonyms | 2,4-DIMETHYLPENTANOIC ACID,
5868-33-7,
2,4-DIMETHYLPENTANOICACID,
Isobutylmethyl-essigsaure,
SCHEMBL275848,
CTK5A8687,
DTXSID40574316,
AKOS010363553,
MCULE-7217536279,
NE26171,
J3.583.185A,
A1-08492,
Z1694645421,
2-Hydroxyisocaproic acid,
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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 |
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Certificate of Analysis
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