1,3,6-Naphthalenetrisulfonic acid, 8-nitro-
Basic information
- CAS
38267-31-1- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12- InChIKey
CWBVVPNADQZLQY-UHFFFAOYSA-N- Molecular formula
- C10H7NO11S3
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.91812356
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 8-nitro-
- IUPAC
- 8-nitronaphthalene-1,3,6-trisulfonic acid
- English name
- 1,3,6-Naphthalenetrisulfonic acid, 8-nitro-
- Molecular formula
- C10H7NO11S3
- Molecular weight
- 413.36
Names & synonyms
38267-31-11,3,6-Naphthalenetrisulfonic acid, 8-nitro-DTXSID60328570RefChem:217569DTXCID802796768-nitronaphthalene-1,3,6-trisulfonic acidSCHEMBL8976886SCHEMBL30254043CWBVVPNADQZLQY-UHFFFAOYSA-N8-nitronaphthalene-1,3,6-trisulfonicacid1-NITRONAPHTHALENE-3,6,8-TRISULFONIC ACID
Database identifiers
- CAS
38267-31-1- PubChem CID
- 412054
- DTXSID
DTXSID60328570- Nikkaji
- J40.554J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 840
Physicochemical properties
- Density
- 2.029 · 2.029±0.06 g/cm3(Predicted)
- pka
- -1.47 · -1.47±0.40(Predicted)
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Compound notes
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