Naphthalic anhydride, 4-amino-3-sulfo-
Basic information
- CAS
6357-99-9- Standard SMILES
Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)OC2=O- InChIKey
KQVXGBGHGOIFMG-UHFFFAOYSA-N- Molecular formula
- C12H7NO6S
- Average molar mass
- 293.25 g/mol
- Monoisotopic mass
- 292.99940812
Names & identifiers
- Preferred name
- Naphthalic anhydride, 4-amino-3-sulfo-
- IUPAC
- 8-amino-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-7-sulfonic acid
- English name
- 4-amino-3-sulfo-1,8-naphthalic anhydride
- Molecular formula
- C12H7NO6S
- Molecular weight
- 293.25
Names & synonyms
6357-99-9Naphthalic anhydride, 4-amino-3-sulfo-NSC75658-amino-2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-7-sulfonic acid4-Amino-3-sulfo-1,8-naphthalic anhydrideamino(dioxo)[?]sulfonic acidSCHEMBL11769544SCHEMBL30608350DTXSID30278472KQVXGBGHGOIFMG-UHFFFAOYSA-NNSC-75651H,3H-Naphtho[1,8-cd]pyran-5-sulfonic acid, 6-amino-1,3-dioxo-
Show more names
6-amino-1,3-dioxo-1h,3h-benzo[de]isochromene-5-sulfonic acid
1H,8-cd]pyran-5-sulfonic acid, 6-amino-1,3-dioxo-6-Amino-1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-5-sulfonic acid
Database identifiers
- CAS
6357-99-9- PubChem CID
- 222164
- DTXSID
DTXSID30278472- Nikkaji
- J173.366D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Density
- 1.813 · 1.813±0.06 g/cm3(Predicted)
- pka
- -0.74 · -0.74±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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