naphthalene-1,2,3,7-tetracarboxylic acid;titanium

C14H8O8Ti — CID 87515449

IUPACnaphthalene-1,2,3,7-tetracarboxylic acid;titanium
SMILESO=C(O)c1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1.[Ti]
InChIInChI=1S/C14H8O8.Ti/c15-11(16)6-2-1-5-3-8(12(17)18)10(14(21)22)9(13(19)20)7(5)4-6;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);
InChIKeyMMPWXQHMYVFVOZ-UHFFFAOYSA-N
MW352.08 g/mol
LogP1.63
Rot. Bonds4

About naphthalene-1,2,3,7-tetracarboxylic acid;titanium

naphthalene-1,2,3,7-tetracarboxylic acid;titanium (PubChem CID 87515449) has the molecular formula C14H8O8Ti and a molecular weight of 352.08 g/mol. Its IUPAC name is naphthalene-1,2,3,7-tetracarboxylic acid;titanium.

Molecular Properties

Compound Namenaphthalene-1,2,3,7-tetracarboxylic acid;titanium
PubChem CID87515449
Molecular FormulaC14H8O8Ti
Molecular Weight352.08 g/mol
Exact Mass351.97
IUPAC Namenaphthalene-1,2,3,7-tetracarboxylic acid;titanium
SMILESO=C(O)c1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1.[Ti]
InChIInChI=1S/C14H8O8.Ti/c15-11(16)6-2-1-5-3-8(12(17)18)10(14(21)22)9(13(19)20)7(5)4-6;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);
InChIKeyMMPWXQHMYVFVOZ-UHFFFAOYSA-N
XLogP1.63
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.08
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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bis(naphthalene-2,6-dicarboxylic acid);zirconium
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CID 67200510
CID 67200510
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3,7-tetracarboxylic acid;titanium?
The IUPAC name of naphthalene-1,2,3,7-tetracarboxylic acid;titanium (CID 87515449) is naphthalene-1,2,3,7-tetracarboxylic acid;titanium.
What is the SMILES notation for naphthalene-1,2,3,7-tetracarboxylic acid;titanium?
The canonical SMILES for naphthalene-1,2,3,7-tetracarboxylic acid;titanium is O=C(O)c1ccc2cc(C(=O)O)c(C(=O)O)c(C(=O)O)c2c1.[Ti].
What is the InChIKey of naphthalene-1,2,3,7-tetracarboxylic acid;titanium?
The InChIKey is MMPWXQHMYVFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O8.Ti/c15-11(16)6-2-1-5-3-8(12(17)18)10(14(21)22)9(13(19)20)7(5)4-6;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);.
What are the key properties of naphthalene-1,2,3,7-tetracarboxylic acid;titanium?
naphthalene-1,2,3,7-tetracarboxylic acid;titanium has a molecular weight of 352.08 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3,7-tetracarboxylic acid;titanium is sourced from PubChem (CID 87515449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).