4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
Basic information
- CAS
90349-65-8- Standard SMILES
CN(N=O)C(=O)Nc1ccc(C(=O)O)cc1- InChIKey
LUAOYJDDQIIDIN-UHFFFAOYSA-N- Molecular formula
- C9H9N3O4
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.05930578
Names & identifiers
- Preferred name
- 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
- IUPAC
- 4-[[methyl(nitroso)carbamoyl]amino]benzoic acid
Names & synonyms
Benzoic acid, p-(3-methyl-3-nitrosoureido)-90349-65-8I0CW01SEA7Benzoic acid, 4-(((methylnitrosoamino)carbonyl)amino)-Benzoic acid, 4-[[(methylnitrosoamino)carbonyl]amino]-NSC-409719DTXSID702380954-(((Methylnitrosoamino)carbonyl)amino)benzoic acidRefChem:1069619DTXCID90160586SRI 1690NSC 409719
Show more names
BRN 2743022p-(3-Methyl-3-nitrosoureido)benzoic acidUNII-I0CW01SEA7SCHEMBL9431007CHEMBL1994466NSC409719NCI60_0039294-{[Methyl(nitroso)carbamoyl]amino}benzoic acid
Database identifiers
- CAS
90349-65-8- PubChem CID
- 101388
- DTXSID
DTXSID70238095- ChEMBL
CHEMBL1994466- UNII
- I0CW01SEA7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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