3-Ethyl-2-methylpentanoic Acid - CAS 600716-77-6
Catalog: |
BB055179 |
Product Name: |
3-Ethyl-2-methylpentanoic Acid |
CAS: |
600716-77-6 |
Synonyms: |
3-ethyl-2-methylpentanoic acid; 3-ethyl-2-methylpentanoicacid |
IUPAC Name: | 3-ethyl-2-methylpentanoic acid |
Molecular Weight: | 144.21 |
Molecular Formula: | C8H16O2 |
Canonical SMILES: | CCC(CC)C(C)C(=O)O |
InChI: | InChI=1S/C8H16O2/c1-4-7(5-2)6(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
InChI Key: | APZRHSSXERCEFU-UHFFFAOYSA-N |
References: | Ciabatti, R., et al. PCT Int. Appl., (2003). |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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