Basic information
- CAS
57544-29-3- Standard SMILES
CC1(C)Oc2ccccc2C=C1[N+](=O)[O-]- InChIKey
DCZZXWWSCKHUHN-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-
- IUPAC
- 2,2-dimethyl-3-nitrochromene
- English name
- 2,2-Dimethyl-3-nitro-2H-1-benzopyran
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
2,2-Dimethyl-3-nitro-2H-1-benzopyran57544-29-3BRN 16204732H-1-BENZOPYRAN, 2,2-DIMETHYL-3-NITRO-DTXSID302061745-17-02-00059 (Beilstein Handbook Reference)RefChem:268089DTXCID301286652,2-dimethyl-3-nitro-2H-chromeneDB-302103
Database identifiers
- CAS
57544-29-3- PubChem CID
- 42463
- DTXSID
DTXSID30206174- Nikkaji
- J132.087D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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