Basic information
- CAS
105052-38-8- Standard SMILES
O=[N+]([O-])C1=Cc2cccc3cccc(c23)O1- InChIKey
GGXRZUFEHAUOEV-UHFFFAOYSA-N- Molecular formula
- C12H7NO3
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.04259309
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Nitronaphtho(1,8-bc)pyran
- IUPAC
- 3-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
Names & synonyms
2-Nitronaphtho(1,8-bc)pyran105052-38-8XQ54L52U3LNAPHTHO(1,8-bc)PYRAN, 2-NITRO-2-NITRONAPHTHO[1,8-BC]PYRANDTXSID00146932RefChem:910142DTXCID90694232-nitro naphtho(1,8-bc)pyranR-7780CCRIS 3055R 7780
Show more names
BRN 5743161UNII-XQ54L52U3L3-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaeneQ27293957
Database identifiers
- CAS
105052-38-8- PubChem CID
- 59909
- DTXSID
DTXSID00146932- UNII
- XQ54L52U3L
- Nikkaji
- J248.141C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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