Romucide
Basic information
- CAS
56840-61-0- Standard SMILES
O=C(O)C(=NNc1cccc([N+](=O)[O-])c1)C(=O)O- InChIKey
ZIWXVQKFPSEGNN-UHFFFAOYSA-N- Molecular formula
- C9H7N3O6
- Average molar mass
- 253.17 g/mol
- Monoisotopic mass
- 253.03348495
Names & identifiers
- Preferred name
- Romucide
- IUPAC
- 2-[(3-nitrophenyl)hydrazinylidene]propanedioic acid
- English name
- romucide
- Molecular formula
- C9H7N3O6
- Molecular weight
- 253.169
Names & synonyms
Romucide56840-61-0DTXSID80205374RefChem:179799DTXCID801278652-[(3-nitrophenyl)hydrazinylidene]propanedioic acid[2-(3-nitrophenyl)hydrazinylidene]propanedioic acidBRN 0923605Romucyde((3-Nitrophenyl)hydrazonol)propanedioic acidPropanedioic acid, ((3-nitrophenyl)hydrazonol)-2-nitrophenylhydrazonomesoxalic acid
Show more names
Reaxys ID: 923605
Propanedioic acid,?2-[2-(3-nitrophenyl)hydrazinylidene]-
Database identifiers
- CAS
56840-61-0- PubChem CID
- 119283
- DTXSID
DTXSID80205374- Nikkaji
- J1.601.783C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Comptox DTXSID
- 80205374 · DTXSID80205374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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