Basic information
- CAS
5869-58-9- Standard SMILES
CCOC(=O)C(N=Nc1ccc(C)cc1)C(C)=O- InChIKey
BBBCJFWZAQMHLR-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate
- IUPAC
- ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
Names & synonyms
5869-58-9Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoateEthyl 2-(2-(4-methylphenyl)diazenyl)-3-oxobutanoateRefChem:3423603-Oxo-2-(p-tolylazo)butyric acid ethyl esterBRN 44729054-Tolyl-azo-acetessigester [German]4-Tolyl-azo-acetessigesterACETOACETIC ACID, 2-(p-TOLYLAZO)-, ETHYL ESTERButanoic acid, 2-((4-methylphenyl)azo)-3-oxo-, ethyl esterethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoateBBBCJFWZAQMHLR-CCEZHUSRSA-N
Show more names
DTXSID201225439butanoic acid, 2-[2-(4-methylphenyl)diazenyl]-3-oxo-, ethyl ester
Database identifiers
- CAS
5869-58-9- PubChem CID
- 22159
- DTXSID
DTXSID201225439
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
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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