Basic information
- CAS
14628-90-1- Standard SMILES
COc1ccc([N+](=O)[O-])ccc1=O- InChIKey
SRVBIVSFLVFSAB-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Overview
reagent specific for primary amino groups
Names & identifiers
- Preferred name
- 2-Methoxy-5-nitro-2,4,6-cycloheptatrien-1-one
- IUPAC
- 2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one
- English name
- 2-methoxy-5-nitro-2,4,6-cycloheptatrien-1-one
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.14548
Names & synonyms
2-Methoxy-5-nitrotropone14628-90-12-Methoxy-5-nitro-2,4,6-cycloheptatrien-1-oneDTXSID40163340RefChem:87863DTXCID9085831238-670-32-methoxy-5-nitrocyclohepta-2,4,6-trien-1-oneCCRIS 1111EINECS 238-670-32-methoxy-5-nitrocyclohepta-2,4,6-trienoneSCHEMBL10771157
Show more names
2,4,6-Cycloheptatrien-1-one, 2-methoxy-5-nitro-
SRVBIVSFLVFSAB-UHFFFAOYSA-NSTL329216AKOS022114187NS00024784
Database identifiers
- CAS
14628-90-1- PubChem CID
- 84563
- DTXSID
DTXSID40163340- EC Number
- 238-670-3
- Nikkaji
- J241.332I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 232 °C · 232 °C
- Boiling point
- 313.1 · 313.1±42.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…