Basic information
- CAS
5869-57-8- Standard SMILES
CCOC(=O)C(N=Nc1cccc(C)c1)C(C)=O- InChIKey
WKQCFWFHPATKJD-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- 3-Oxo-2-(m-tolylazo)butyric acid ethyl ester
- IUPAC
- ethyl 2-[(3-methylphenyl)diazenyl]-3-oxobutanoate
Names & synonyms
BRN 50527023-Oxo-2-(m-tolylazo)butyric acid ethyl ester3-Tolyl-azo-acetessigester [German]5869-57-83-Tolyl-azo-acetessigesterACETOACETIC ACID, 2-(m-TOLYLAZO)-, ETHYL ESTERButanoic acid, 2-((3-methylphenyl)azo)-3-oxo-, ethyl ester
Database identifiers
- CAS
5869-57-8- PubChem CID
- 22158
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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