benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen

C10H10O8 — CID 173173883

IUPACbenzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[H][H].[H][H]
InChIInChI=1S/C10H6O8.2H2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1H
InChIKeyHMITZHNTULHXDW-UHFFFAOYSA-N
MW258.18 g/mol
LogP0.97
Rot. Bonds4

About benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen

benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen (PubChem CID 173173883) has the molecular formula C10H10O8 and a molecular weight of 258.18 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
PubChem CID173173883
Molecular FormulaC10H10O8
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Namebenzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[H][H].[H][H]
InChIInChI=1S/C10H6O8.2H2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1H
InChIKeyHMITZHNTULHXDW-UHFFFAOYSA-N
XLogP0.97
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
4-acetylbenzene-1,2,3-tricarboxylic acid
CID 57156687
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
CID 162258844
CID 174724694
CID 174724694
4-sulfobenzene-1,2,3-tricarboxylic acid
CID 19039262
3,4-dibenzoylphthalic acid
CID 22269446
3,4-dihydroxyphthalic acid;nickel
CID 156700318
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)
CID 173051474
3-hydroxy-4-methylphthalic acid
CID 139814560
4-carbonochloridoyl-3-chlorophthalic acid
CID 172696921

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen (CID 173173883) is benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen.
What is the SMILES notation for benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The canonical SMILES for benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen is O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[H][H].[H][H].
What is the InChIKey of benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The InChIKey is HMITZHNTULHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.2H2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1H.
What are the key properties of benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen has a molecular weight of 258.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen is sourced from PubChem (CID 173173883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).