1-hydroxynaphthalene-2,3-dicarboxylic acid

C12H8O5 — CID 22665121

IUPAC1-hydroxynaphthalene-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2ccccc2c(O)c1C(=O)O
InChIInChI=1S/C12H8O5/c13-10-7-4-2-1-3-6(7)5-8(11(14)15)9(10)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyJEDKICTVBRGLJP-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.94
Rot. Bonds2

About 1-hydroxynaphthalene-2,3-dicarboxylic acid

1-hydroxynaphthalene-2,3-dicarboxylic acid (PubChem CID 22665121) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 1-hydroxynaphthalene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-hydroxynaphthalene-2,3-dicarboxylic acid
PubChem CID22665121
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name1-hydroxynaphthalene-2,3-dicarboxylic acid
SMILESO=C(O)c1cc2ccccc2c(O)c1C(=O)O
InChIInChI=1S/C12H8O5/c13-10-7-4-2-1-3-6(7)5-8(11(14)15)9(10)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyJEDKICTVBRGLJP-UHFFFAOYSA-N
XLogP1.94
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173370957
1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 67376724
5,6-dihydroxybenzene-1,2,4-tricarboxylic acid
CID 139947504
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602

Frequently Asked Questions

What is the IUPAC name of 1-hydroxynaphthalene-2,3-dicarboxylic acid?
The IUPAC name of 1-hydroxynaphthalene-2,3-dicarboxylic acid (CID 22665121) is 1-hydroxynaphthalene-2,3-dicarboxylic acid.
What is the SMILES notation for 1-hydroxynaphthalene-2,3-dicarboxylic acid?
The canonical SMILES for 1-hydroxynaphthalene-2,3-dicarboxylic acid is O=C(O)c1cc2ccccc2c(O)c1C(=O)O.
What is the InChIKey of 1-hydroxynaphthalene-2,3-dicarboxylic acid?
The InChIKey is JEDKICTVBRGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c13-10-7-4-2-1-3-6(7)5-8(11(14)15)9(10)12(16)17/h1-5,13H,(H,14,15)(H,16,17).
What are the key properties of 1-hydroxynaphthalene-2,3-dicarboxylic acid?
1-hydroxynaphthalene-2,3-dicarboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxynaphthalene-2,3-dicarboxylic acid is sourced from PubChem (CID 22665121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).