Cyclopropenoic acid
PubChem CID: 20484850
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| Compound Synonyms | cyclopropenoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Np Classifier Class | Aminoacids, Simple phenolic acids |
| Deep Smiles | OC=O)C=CC3 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CC1 |
| Classyfire Subclass | Carboxylic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 113.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclopropene-1-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H4O2 |
| Scaffold Graph Node Bond Level | C1=CC1 |
| Inchi Key | ZYYZWCHPJMNJGY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cyclopropenoic acid |
| Esol Class | Very soluble |
| Functional Groups | O=C(O)C1=CC1 |
| Compound Name | Cyclopropenoic acid |
| Exact Mass | 84.0211 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0211 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 84.07 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H4O2/c5-4(6)3-1-2-3/h1H,2H2,(H,5,6) |
| Smiles | C1C=C1C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1), Small peptides |
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