benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid

C20H12O16 — CID 162258844

IUPACbenzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/2C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)5(2-3)9(15)16;11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16/h2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyZYYPEXLZTICGLJ-UHFFFAOYSA-N
MW508.30 g/mol
LogP0.96
Rot. Bonds8

About benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid

benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid (PubChem CID 162258844) has the molecular formula C20H12O16 and a molecular weight of 508.30 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
PubChem CID162258844
Molecular FormulaC20H12O16
Molecular Weight508.30 g/mol
Exact Mass508.01
IUPAC Namebenzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/2C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)5(2-3)9(15)16;11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16/h2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyZYYPEXLZTICGLJ-UHFFFAOYSA-N
XLogP0.96
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.30
LogP ≤ 50.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173173883
6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
CID 56633128
benzene-1,2,4-tricarboxylic acid;3-(2,3-dicarboxybenzoyl)phthalic acid
CID 166709208
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
3-acetylbenzene-1,2,4,5-tetracarboxylic acid
CID 139743512
4-acetylbenzene-1,2,3-tricarboxylic acid
CID 57156687
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
CID 66765387
6-[8-(2,3,5-tricarboxyphenyl)octyl]benzene-1,2,4-tricarboxylic acid
CID 19899365
naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid?
The IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid (CID 162258844) is benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid.
What is the SMILES notation for benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid?
The canonical SMILES for benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid?
The InChIKey is ZYYPEXLZTICGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)5(2-3)9(15)16;11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16/h2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid?
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid has a molecular weight of 508.30 g/mol, XLogP of 0.96, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid is sourced from PubChem (CID 162258844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).