Phenylglyoxal
PubChem CID: 14090
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| Compound Synonyms | phenylglyoxal, 2-oxo-2-phenylacetaldehyde, 1074-12-0, benzoylformaldehyde, phenylethanedione, benzoylcarboxaldehyde, glyoxal, phenyl-, alpha-oxobenzeneacetaldehyde, Benzeneacetaldehyde, .alpha.-oxo-, Oxo(phenyl)acetaldehyde, CCRIS 966, Benzeneacetaldehyde, alpha-oxo-, Phenyl glyoxal, EINECS 214-036-1, MFCD00006959, NSC 26909, NSC 156299, UNII-N45G3015PA, BRN 1854721, DTXSID8025888, AI3-22132, Oxo-phenyl-acetaldehyde, benzeneacetaldehyde, alpha-oxo-, monohydrate, N45G3015PA, NSC-26909, 1-PHENYLETHANEDIONE, NSC-156299, DTXCID705888, CHEBI:88868, 4-07-00-02129 (Beilstein Handbook Reference), NSC627436, 2-oxo-2-phenyl-acetaldehyde, Benzoyl formaldehyde, a-hydroxy phenylketene, Phenylglyoxal treated BSA, Oxo(phenyl)acetaldehyde #, Phenylglyoxal treated casein, Benzeneacetaldehyde, a-oxo-, SCHEMBL57493, CHEMBL233632, NSC26909, Tox21_200277, MSK178335, NSC156299, Benzeneacetaldehyde, alpha-oxo-(9CI), AKOS009031532, AB00817, NSC-627436, NCGC00091619-01, NCGC00091619-02, NCGC00257831-01, AS-50086, SY047494, CAS-1074-12-0, 1ST178335, DB-040753, NS00023460, P0652, EN300-33982, O10845, Q5934181, Z1954804411 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | O=CC=O)cccccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylacetaldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, P00352, P28482, Q16236, P51449, P21687, P16638, P04792, P05412 |
| Iupac Name | 2-oxo-2-phenylacetaldehyde |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.7 |
| Superclass | Benzenoids |
| Subclass | Phenylacetaldehydes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H6O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OJUGVDODNPJEEC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | Phenylglyoxal, phenylglyoxal |
| Esol Class | Soluble |
| Functional Groups | cC(=O)C=O |
| Compound Name | Phenylglyoxal |
| Kingdom | Organic compounds |
| Exact Mass | 134.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 134.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H |
| Smiles | C1=CC=C(C=C1)C(=O)C=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylacetaldehydes |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Purpurea (Plant) Rel Props:Reference:ISBN:9788185042138