Acetic acid, cyano((4-methylphenyl)hydrazono)-, methyl ester
Basic information
- CAS
59061-90-4- Standard SMILES
COC(=O)/C(C#N)=N/Nc1ccc(C)cc1- InChIKey
LDHNFMLZRGNDJH-GXDHUFHOSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- Acetic acid, cyano((4-methylphenyl)hydrazono)-, methyl ester
- IUPAC
- methyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Names & synonyms
ACETIC ACID, CYANO((4-METHYLPHENYL)HYDRAZONO)-, METHYL ESTER59061-90-4RefChem:1075779Cyanoglyoxylic acid methyl ester 2-p-tolylhydrazoneBRN 0650698Glyoxylic acid, cyano-, methyl ester, 2-p-tolylhydrazone0-15-00-00526 (Beilstein Handbook Reference)
Database identifiers
- CAS
59061-90-4- PubChem CID
- 9570641
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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