naphthalene-2,6-dicarboxylic acid

C12H8O4 — CID 14357

IUPACnaphthalene-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyRXOHFPCZGPKIRD-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.24
Rot. Bonds2

About naphthalene-2,6-dicarboxylic acid

naphthalene-2,6-dicarboxylic acid (PubChem CID 14357) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is naphthalene-2,6-dicarboxylic acid.

Molecular Properties

Compound Namenaphthalene-2,6-dicarboxylic acid
PubChem CID14357
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Namenaphthalene-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyRXOHFPCZGPKIRD-UHFFFAOYSA-N
XLogP2.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-dicarboxylic acid?
The IUPAC name of naphthalene-2,6-dicarboxylic acid (CID 14357) is naphthalene-2,6-dicarboxylic acid.
What is the SMILES notation for naphthalene-2,6-dicarboxylic acid?
The canonical SMILES for naphthalene-2,6-dicarboxylic acid is O=C(O)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of naphthalene-2,6-dicarboxylic acid?
The InChIKey is RXOHFPCZGPKIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16).
What are the key properties of naphthalene-2,6-dicarboxylic acid?
naphthalene-2,6-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-dicarboxylic acid is sourced from PubChem (CID 14357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).