naphthalene-1,2,3,6,7-pentacarboxylic acid

C15H8O10 — CID 101297529

IUPACnaphthalene-1,2,3,6,7-pentacarboxylic acid
SMILESO=C(O)c1cc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2cc1C(=O)O
InChIInChI=1S/C15H8O10/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyGKEPDROGBFANKL-UHFFFAOYSA-N
MW348.22 g/mol
LogP1.33
Rot. Bonds5

About naphthalene-1,2,3,6,7-pentacarboxylic acid

naphthalene-1,2,3,6,7-pentacarboxylic acid (PubChem CID 101297529) has the molecular formula C15H8O10 and a molecular weight of 348.22 g/mol. Its IUPAC name is naphthalene-1,2,3,6,7-pentacarboxylic acid.

Molecular Properties

Compound Namenaphthalene-1,2,3,6,7-pentacarboxylic acid
PubChem CID101297529
Molecular FormulaC15H8O10
Molecular Weight348.22 g/mol
Exact Mass348.01
IUPAC Namenaphthalene-1,2,3,6,7-pentacarboxylic acid
SMILESO=C(O)c1cc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2cc1C(=O)O
InChIInChI=1S/C15H8O10/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyGKEPDROGBFANKL-UHFFFAOYSA-N
XLogP1.33
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

anthracene-1,2,3,7-tetracarboxylic acid
CID 57259844
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448
naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
phenanthrene-1,2,6,7-tetracarboxylic acid
CID 22259569
1,4-dichloroanthracene-2,3,6,7-tetracarboxylic acid
CID 175774322
pyrene-1,2,6,7-tetracarboxylic acid
CID 19093279
5,6-dihydroxybenzene-1,2,4-tricarboxylic acid
CID 139947504
3-acetylbenzene-1,2,4,5-tetracarboxylic acid
CID 139743512
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
anthracene-1,3,6,7-tetracarboxylic acid
CID 18972239
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3,6,7-pentacarboxylic acid?
The IUPAC name of naphthalene-1,2,3,6,7-pentacarboxylic acid (CID 101297529) is naphthalene-1,2,3,6,7-pentacarboxylic acid.
What is the SMILES notation for naphthalene-1,2,3,6,7-pentacarboxylic acid?
The canonical SMILES for naphthalene-1,2,3,6,7-pentacarboxylic acid is O=C(O)c1cc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2cc1C(=O)O.
What is the InChIKey of naphthalene-1,2,3,6,7-pentacarboxylic acid?
The InChIKey is GKEPDROGBFANKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O10/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of naphthalene-1,2,3,6,7-pentacarboxylic acid?
naphthalene-1,2,3,6,7-pentacarboxylic acid has a molecular weight of 348.22 g/mol, XLogP of 1.33, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3,6,7-pentacarboxylic acid is sourced from PubChem (CID 101297529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).