benzene-1,2,3,4,5,6-hexacarboxylic acid

C12H6O12 — CID 2334

IUPACbenzene-1,2,3,4,5,6-hexacarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyYDSWCNNOKPMOTP-UHFFFAOYSA-N
MW342.17 g/mol
LogP-0.12
Rot. Bonds6

About benzene-1,2,3,4,5,6-hexacarboxylic acid

benzene-1,2,3,4,5,6-hexacarboxylic acid (PubChem CID 2334) has the molecular formula C12H6O12 and a molecular weight of 342.17 g/mol. Its IUPAC name is benzene-1,2,3,4,5,6-hexacarboxylic acid.

Molecular Properties

Compound Namebenzene-1,2,3,4,5,6-hexacarboxylic acid
PubChem CID2334
Molecular FormulaC12H6O12
Molecular Weight342.17 g/mol
Exact Mass341.99
IUPAC Namebenzene-1,2,3,4,5,6-hexacarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyYDSWCNNOKPMOTP-UHFFFAOYSA-N
XLogP-0.12
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

Pyromellitic Acid
CID 6961
Trimellitic acid
CID 10708
1,2,3-Benzenetricarboxylic acid
CID 11288
4-Methylphthalic acid
CID 20310
Benzenepentacarboxylic Acid
CID 15314
Pentamethylbenzoic acid
CID 75236
Hexamethyl Benzenehexacarboxylate
CID 138697
4,6-Dimethylisophthalic Acid
CID 314208
4-Methylbenzene-1,3-dicarboxylic acid
CID 595750
1,2,4,5-Benzenetetracarboxylic acid, 1,4-dimethyl ester
CID 83043
1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester
CID 119874
2,3,5,6-Tetramethyl-1,4-benzenedicarboxylic acid
CID 261543

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4,5,6-hexacarboxylic acid?
The IUPAC name of benzene-1,2,3,4,5,6-hexacarboxylic acid (CID 2334) is benzene-1,2,3,4,5,6-hexacarboxylic acid.
What is the SMILES notation for benzene-1,2,3,4,5,6-hexacarboxylic acid?
The canonical SMILES for benzene-1,2,3,4,5,6-hexacarboxylic acid is O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of benzene-1,2,3,4,5,6-hexacarboxylic acid?
The InChIKey is YDSWCNNOKPMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of benzene-1,2,3,4,5,6-hexacarboxylic acid?
benzene-1,2,3,4,5,6-hexacarboxylic acid has a molecular weight of 342.17 g/mol, XLogP of -0.12, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4,5,6-hexacarboxylic acid is sourced from PubChem (CID 2334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).