Basic information
- CAS
50527-26-9- Standard SMILES
CNc1c([N+](=O)[O-])c(=O)oc2ccccc12- InChIKey
YEMWREDUHDSXOD-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 4-Methylamino-3-nitrocoumarin
- IUPAC
- 4-(methylamino)-3-nitrochromen-2-one
Names & synonyms
4-Methylamino-3-nitrocoumarin50527-26-94-(methylamino)-3-nitrochromen-2-oneCOUMARIN, 4-METHYLAMINO-3-NITRO-4-(methylamino)-3-nitro-2H-chromen-2-one3-nitro-4-(methylamino)-2H-chromen-2-oneBRN 1647056SR-01000321204DTXSID40198531AKOS000637773CCG-247958ST50244901
Show more names
4-(Methylamino)-3-nitro-2H-1-benzopyran-2-oneAH-034/32475039AH-262/31957045SR-01000321204-1SR-01000321204-2
Database identifiers
- CAS
50527-26-9- PubChem CID
- 39682
- DTXSID
DTXSID40198531- Nikkaji
- J67.695K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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