9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid

C14H12O5S — CID 141007243

IUPAC9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)C(O)c1ccccc1C2O
InChIInChI=1S/C14H12O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7,13-16H,(H,17,18,19)
InChIKeyNCLRTFJUIZHLTL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.41
Rot. Bonds1

About 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid

9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid (PubChem CID 141007243) has the molecular formula C14H12O5S and a molecular weight of 292.31 g/mol. Its IUPAC name is 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid.

Molecular Properties

Compound Name9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
PubChem CID141007243
Molecular FormulaC14H12O5S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)C(O)c1ccccc1C2O
InChIInChI=1S/C14H12O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7,13-16H,(H,17,18,19)
InChIKeyNCLRTFJUIZHLTL-UHFFFAOYSA-N
XLogP1.41
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 8420
tetracene-2-sulfonic acid
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naphthalene-2-sulfonic acid;zinc
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CID 87246277
CID 88530425
CID 88530425
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
3-[hydroxy(oxido)amino]benzenesulfonic acid
CID 163168540
9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
CID 18680044
azane;3-[phenyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 173085808
Dispersing Agent NNO
CID 156594502
benzenesulfonic acid
CID 87196622
9-(methoxycarbonylamino)-9H-fluorene-2-sulfonic acid
CID 175249700

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid?
The IUPAC name of 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid (CID 141007243) is 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid.
What is the SMILES notation for 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid?
The canonical SMILES for 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid is O=S(=O)(O)c1ccc2c(c1)C(O)c1ccccc1C2O.
What is the InChIKey of 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid?
The InChIKey is NCLRTFJUIZHLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7,13-16H,(H,17,18,19).
What are the key properties of 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid?
9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid has a molecular weight of 292.31 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid is sourced from PubChem (CID 141007243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).