benzene-1,2,4,5-tetracarboxylic acid;lanthanum

C10H6LaO8 — CID 157172767

IUPACbenzene-1,2,4,5-tetracarboxylic acid;lanthanum
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[La]
InChIInChI=1S/C10H6O8.La/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);
InChIKeyANQXBXKWWDKOCB-UHFFFAOYSA-N
MW393.06 g/mol
LogP0.48
Rot. Bonds4

About benzene-1,2,4,5-tetracarboxylic acid;lanthanum

benzene-1,2,4,5-tetracarboxylic acid;lanthanum (PubChem CID 157172767) has the molecular formula C10H6LaO8 and a molecular weight of 393.06 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;lanthanum.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;lanthanum
PubChem CID157172767
Molecular FormulaC10H6LaO8
Molecular Weight393.06 g/mol
Exact Mass392.91
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;lanthanum
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[La]
InChIInChI=1S/C10H6O8.La/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);
InChIKeyANQXBXKWWDKOCB-UHFFFAOYSA-N
XLogP0.48
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2,4,5-tetracarboxylic acid;ethene
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benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
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5-fluorobenzene-1,2,4-tricarboxylic acid
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CID 172784976
sodium 2,4,5-tricarboxybenzoate
CID 100958061
bis(4,5-dicarboxyphthalate);zinc;tetrahydroxide
CID 5246120
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
CID 175172345
CID 175172345
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;lanthanum?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;lanthanum (CID 157172767) is benzene-1,2,4,5-tetracarboxylic acid;lanthanum.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;lanthanum?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;lanthanum is O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[La].
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;lanthanum?
The InChIKey is ANQXBXKWWDKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.La/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);.
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;lanthanum?
benzene-1,2,4,5-tetracarboxylic acid;lanthanum has a molecular weight of 393.06 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;lanthanum is sourced from PubChem (CID 157172767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).