7-methylnaphthalene-1,2,3-tricarboxylic acid

C14H10O6 — CID 143435448

IUPAC7-methylnaphthalene-1,2,3-tricarboxylic acid
SMILESCc1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C14H10O6/c1-6-2-3-7-5-9(12(15)16)11(14(19)20)10(13(17)18)8(7)4-6/h2-5H,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWMYGHQCUTNDGDF-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.24
Rot. Bonds3

About 7-methylnaphthalene-1,2,3-tricarboxylic acid

7-methylnaphthalene-1,2,3-tricarboxylic acid (PubChem CID 143435448) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 7-methylnaphthalene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name7-methylnaphthalene-1,2,3-tricarboxylic acid
PubChem CID143435448
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name7-methylnaphthalene-1,2,3-tricarboxylic acid
SMILESCc1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1
InChIInChI=1S/C14H10O6/c1-6-2-3-7-5-9(12(15)16)11(14(19)20)10(13(17)18)8(7)4-6/h2-5H,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWMYGHQCUTNDGDF-UHFFFAOYSA-N
XLogP2.24
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449
naphthalene-1,2,3,6,7-pentacarboxylic acid
CID 101297529
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
pyrene-1,2,6,7-tetracarboxylic acid
CID 19093279
anthracene-1,2,3,7-tetracarboxylic acid
CID 57259844
3-acetylbenzene-1,2,4,5-tetracarboxylic acid
CID 139743512
1-bromo-7-methylisoquinoline-3-carboxylic acid
CID 165441671
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
phenanthrene-1,2,6,7-tetracarboxylic acid
CID 22259569
1-cyclopentyl-7-methylnaphthalene-2-carboxylic acid
CID 115057687

Frequently Asked Questions

What is the IUPAC name of 7-methylnaphthalene-1,2,3-tricarboxylic acid?
The IUPAC name of 7-methylnaphthalene-1,2,3-tricarboxylic acid (CID 143435448) is 7-methylnaphthalene-1,2,3-tricarboxylic acid.
What is the SMILES notation for 7-methylnaphthalene-1,2,3-tricarboxylic acid?
The canonical SMILES for 7-methylnaphthalene-1,2,3-tricarboxylic acid is Cc1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1.
What is the InChIKey of 7-methylnaphthalene-1,2,3-tricarboxylic acid?
The InChIKey is WMYGHQCUTNDGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-6-2-3-7-5-9(12(15)16)11(14(19)20)10(13(17)18)8(7)4-6/h2-5H,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 7-methylnaphthalene-1,2,3-tricarboxylic acid?
7-methylnaphthalene-1,2,3-tricarboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnaphthalene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 143435448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).