naphthalene-2,6-dicarboxylic acid;thorium

C12H8O4Th — CID 175461115

IUPACnaphthalene-2,6-dicarboxylic acid;thorium
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Th]
InChIInChI=1S/C12H8O4.Th/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);
InChIKeyBRZHOHYVTHIRLU-UHFFFAOYSA-N
MW448.23 g/mol
LogP2.24
Rot. Bonds2

About naphthalene-2,6-dicarboxylic acid;thorium

naphthalene-2,6-dicarboxylic acid;thorium (PubChem CID 175461115) has the molecular formula C12H8O4Th and a molecular weight of 448.23 g/mol. Its IUPAC name is naphthalene-2,6-dicarboxylic acid;thorium.

Molecular Properties

Compound Namenaphthalene-2,6-dicarboxylic acid;thorium
PubChem CID175461115
Molecular FormulaC12H8O4Th
Molecular Weight448.23 g/mol
Exact Mass448.08
IUPAC Namenaphthalene-2,6-dicarboxylic acid;thorium
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Th]
InChIInChI=1S/C12H8O4.Th/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);
InChIKeyBRZHOHYVTHIRLU-UHFFFAOYSA-N
XLogP2.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67200510
CID 67200510
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CID 66988682
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naphthalene-2-carboxylic acid
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naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
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CID 175448774
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CID 87430666
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-dicarboxylic acid;thorium?
The IUPAC name of naphthalene-2,6-dicarboxylic acid;thorium (CID 175461115) is naphthalene-2,6-dicarboxylic acid;thorium.
What is the SMILES notation for naphthalene-2,6-dicarboxylic acid;thorium?
The canonical SMILES for naphthalene-2,6-dicarboxylic acid;thorium is O=C(O)c1ccc2cc(C(=O)O)ccc2c1.[Th].
What is the InChIKey of naphthalene-2,6-dicarboxylic acid;thorium?
The InChIKey is BRZHOHYVTHIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.Th/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;thorium?
naphthalene-2,6-dicarboxylic acid;thorium has a molecular weight of 448.23 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;thorium is sourced from PubChem (CID 175461115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).