Basic information
- CAS
90476-07-6- Standard SMILES
COC(=O)c1ccc(N=NN(C)COC(C)=O)cc1- InChIKey
JMFDBLBXTHBXDG-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester
- IUPAC
- methyl 4-[[acetyloxymethyl(methyl)amino]diazenyl]benzoate
Names & synonyms
90476-07-6NIOSH/DG0892000DG089200003-Acetoxymethyl-3-methyl-1-(p-methoxycarbonylphenyl)triazeneBenzoic acid, p-(3-(acetoxymethyl)-3-methyl-1-triazeno)-, methyl esterNSC372080Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl esterMethyl 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)benzoateNSC 372080NSC-372080
Database identifiers
- CAS
90476-07-6- PubChem CID
- 100804
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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