Acetic acid
PubChem CID: 56924026
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| Compound Synonyms | SCHEMBL9325783, AKOS015837961 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | CC=O)O.CC=O)O.OCCOCCO |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | acetic acid, 2-(2-hydroxyethoxy)ethanol |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H18O7 |
| Inchi Key | NQZIMCQYPKKFAX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | diethyleneglycol diacetate |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO, COC |
| Compound Name | Acetic acid, 2-(2-hydroxyethoxy)ethanol |
| Exact Mass | 226.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 226.22 |
| Gi Absorption | True |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H10O3.2C2H4O2/c5-1-3-7-4-2-6, 2*1-2(3)4/h5-6H,1-4H2, 2*1H3,(H,3,4) |
| Smiles | CC(=O)O.CC(=O)O.C(COCCO)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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