5-Chlorohexanoic Acid - CAS 112176-22-4
Catalog: |
BB070364 |
Product Name: |
5-Chlorohexanoic Acid |
CAS: |
112176-22-4 |
Synonyms: |
5-Chlorocaproic acid; Hexanoic acid |
IUPAC Name: | 5-chlorohexanoic acid |
Description: | 5-Chlorohexanoic acid CAS#: 112176-22-4 is a building block used in organic synthesis. |
Molecular Weight: | 150.6 |
Molecular Formula: | C6H11ClO2 |
Canonical SMILES: | CC(CCCC(=O)O)Cl |
InChI: | InChI=1S/C6H11ClO2/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9) |
InChI Key: | BKYXJMPZIUFVJA-UHFFFAOYSA-N |
References: | Liang, S., et al., Green Chemistry., 20, 680 (2018). |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0447573 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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