3-hydroxynaphthalene-2,7-disulfonic acid

C10H8O7S2 — CID 8674

IUPAC3-hydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyUSWINTIHFQKJTR-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.04
Rot. Bonds2

About 3-hydroxynaphthalene-2,7-disulfonic acid

3-hydroxynaphthalene-2,7-disulfonic acid (PubChem CID 8674) has the molecular formula C10H8O7S2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-hydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3-hydroxynaphthalene-2,7-disulfonic acid
PubChem CID8674
Molecular FormulaC10H8O7S2
Molecular Weight304.30 g/mol
Exact Mass303.97
IUPAC Name3-hydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyUSWINTIHFQKJTR-UHFFFAOYSA-N
XLogP1.04
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxynaphthalene-2,7-disulfonic acid?
The IUPAC name of 3-hydroxynaphthalene-2,7-disulfonic acid (CID 8674) is 3-hydroxynaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3-hydroxynaphthalene-2,7-disulfonic acid?
The canonical SMILES for 3-hydroxynaphthalene-2,7-disulfonic acid is O=S(=O)(O)c1ccc2cc(O)c(S(=O)(=O)O)cc2c1.
What is the InChIKey of 3-hydroxynaphthalene-2,7-disulfonic acid?
The InChIKey is USWINTIHFQKJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17).
What are the key properties of 3-hydroxynaphthalene-2,7-disulfonic acid?
3-hydroxynaphthalene-2,7-disulfonic acid has a molecular weight of 304.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 8674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).