Furan-2,5-dicarbaldehyde
PubChem CID: 69980
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| Compound Synonyms | Furan-2,5-dicarbaldehyde, 823-82-5, 2,5-Diformylfuran, 2,5-Furandicarboxaldehyde, 2,5-Furandicarbaldehyde, 5-Formylfurfural, furan-2,5-dicarboxaldehyde, furan-2,5-dialdehyde, UNII-L4HT8N2Z72, MFCD00671517, EINECS 212-520-7, L4HT8N2Z72, CHEBI:83385, DTXSID60231676, 163857-09-8, 2,5-FURANDICARBOXALDEHYDE [MI], 2,5-Furandicarboxaldehyde, radical ion(1-) (9CI), C6H4O3, 2,5-diformylfurane, Furan-2,5-dial, NSC618088, 2,5-Furandicarbaldehyde #, SCHEMBL51391, YSWG163, DTXCID90154167, 2,5-Furandicarboxaldehyde, 97%, BCP14987, CS-M0775, AKOS015855726, NSC-618088, SB60899, DS-15261, FD147677, SY047865, DB-005874, D2408, NS00041992, C20899, Q16736622 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | O=Ccccco5)C=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | furan-2,5-dicarbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H4O3 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | PXJJKVNIMAZHCB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,5-furandicarboxaldehyde |
| Esol Class | Very soluble |
| Functional Groups | cC=O, coc |
| Compound Name | Furan-2,5-dicarbaldehyde |
| Exact Mass | 124.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.016 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 124.09 |
| 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/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H |
| Smiles | C1=C(OC(=C1)C=O)C=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006