Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide
Basic information
- CAS
106733-81-7- Standard SMILES
CC(=C\S(=O)(=O)O)/C=C(\C)NNC(=O)c1ccc(C)cc1- InChIKey
MWWBQSZSTNINRZ-FYDMFQIUSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide
- IUPAC
- (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
Names & synonyms
Benzoic acid, 4-methyl-, 2-(1,3-dimethyl-4-sulfo-1,3-butadien-1-yl)hydrazide106733-81-7
Database identifiers
- CAS
106733-81-7- PubChem CID
- 6442948
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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