Basic information
- CAS
53653-22-8- Standard SMILES
O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12- InChIKey
NSMXSOJJDHNPSX-UHFFFAOYSA-N- Molecular formula
- C11H7NO4
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 217.0375077
Names & identifiers
- Preferred name
- 2-Hydroxy-6-nitronaphthalene-1-carbaldehyde
- IUPAC
- 2-hydroxy-6-nitronaphthalene-1-carbaldehyde
- English name
- 6-Nitro-2-hydroxynaphthalene-1-carboxaldehyde
- Molecular formula
- C11H7NO4
- Molecular weight
- 217.18
Names & synonyms
53653-22-82-hydroxy-6-nitro-1-naphthaldehyde2-hydroxy-6-nitronaphthalene-1-carbaldehyde2-hydroxy-6-nitro-naphthalene-1-carbaldehydeSCHEMBL11596295NSMXSOJJDHNPSX-UHFFFAOYSA-DTXSID30393730NSMXSOJJDHNPSX-UHFFFAOYSA-NBBL019081MFCD00579121STL197948AKOS005138254
Show more names
6-Nitro-2-hydroxynaphthalene-1-carboxaldehyde1-Naphthalenecarboxaldehyde, 2-hydroxy-6-nitro-
2-hydroxy-6-nitronaphthalenecarbaldehydeVS-06875DB-082575CS-0327044ST50986680AE-907/30536006InChI=1/C11H7NO4/c13-6-10-9-3-2-8(12(15)16)5-7(9)1-4-11(10)14/h1-6,14H
Database identifiers
- CAS
53653-22-8- PubChem CID
- 3567973
- DTXSID
DTXSID30393730
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Chemistry & industry
Suppliers2 total
SYNCHEM-OHG[email protected]
PRINCETON[email protected]
Related reactions
2 records
Compound notes
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