9,10-dihydroanthracene-2,6-disulfonic acid

C14H12O6S2 — CID 21114729

IUPAC9,10-dihydroanthracene-2,6-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)Cc1ccc(S(=O)(=O)O)cc1C2
InChIInChI=1S/C14H12O6S2/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13/h1-4,7-8H,5-6H2,(H,15,16,17)(H,18,19,20)
InChIKeyRNUMOGVAAPRXAN-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.67
Rot. Bonds2

About 9,10-dihydroanthracene-2,6-disulfonic acid

9,10-dihydroanthracene-2,6-disulfonic acid (PubChem CID 21114729) has the molecular formula C14H12O6S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 9,10-dihydroanthracene-2,6-disulfonic acid.

Molecular Properties

Compound Name9,10-dihydroanthracene-2,6-disulfonic acid
PubChem CID21114729
Molecular FormulaC14H12O6S2
Molecular Weight340.38 g/mol
Exact Mass340.01
IUPAC Name9,10-dihydroanthracene-2,6-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)Cc1ccc(S(=O)(=O)O)cc1C2
InChIInChI=1S/C14H12O6S2/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13/h1-4,7-8H,5-6H2,(H,15,16,17)(H,18,19,20)
InChIKeyRNUMOGVAAPRXAN-UHFFFAOYSA-N
XLogP1.67
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 88515722
CID 88515722
10-oxo-9H-anthracene-2,6-disulfonic acid
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26,27,30,31-tetraoxo-5,11,17,23-tetrasulfopentacyclo[19.3.2.23,7.29,13.215,19]dotriaconta-1(25),3(32),4,6,9,11,13(29),15(28),16,18,21,23-dodecaene-25,28,29,32-tetrolate
CID 102426943
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CID 57117417
disodium;9H-fluorene-2,7-disulfonate
CID 21178460
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
25,26,27,28-tetrahydroxy-23-nitropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-5,11,17-trisulfonic acid
CID 73357198
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
3-diazo-4H-naphthalene-2,7-disulfonic acid
CID 54455376
13,16,19,22,25,28,42,45,48,51,54,57,60-tridecaoxaheptacyclo[38.21.1.111,30.05,61.07,12.029,34.036,41]trihexaconta-1(61),2,4,7(12),8,10,29(34),30,32,36,38,40-dodecaene-3,9,32,38-tetrasulfonic acid
CID 101145683
13,16,19,22,25,39,42,45,48,51-decaoxaheptacyclo[35.15.1.111,27.05,52.07,12.026,31.033,38]tetrapentaconta-1,3,5(52),7(12),8,10,26(31),27,29,33(38),34,36-dodecaene-3,9,29,35-tetrasulfonic acid
CID 12022434

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracene-2,6-disulfonic acid?
The IUPAC name of 9,10-dihydroanthracene-2,6-disulfonic acid (CID 21114729) is 9,10-dihydroanthracene-2,6-disulfonic acid.
What is the SMILES notation for 9,10-dihydroanthracene-2,6-disulfonic acid?
The canonical SMILES for 9,10-dihydroanthracene-2,6-disulfonic acid is O=S(=O)(O)c1ccc2c(c1)Cc1ccc(S(=O)(=O)O)cc1C2.
What is the InChIKey of 9,10-dihydroanthracene-2,6-disulfonic acid?
The InChIKey is RNUMOGVAAPRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6S2/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13/h1-4,7-8H,5-6H2,(H,15,16,17)(H,18,19,20).
What are the key properties of 9,10-dihydroanthracene-2,6-disulfonic acid?
9,10-dihydroanthracene-2,6-disulfonic acid has a molecular weight of 340.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroanthracene-2,6-disulfonic acid is sourced from PubChem (CID 21114729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).