benzene-1,3,5-tricarboxylic acid;vanadium

C9H6O6V — CID 166458102

IUPACbenzene-1,3,5-tricarboxylic acid;vanadium
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[V]
InChIInChI=1S/C9H6O6.V/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);
InChIKeyGIULJSCLRBEVLW-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.78
Rot. Bonds3

About benzene-1,3,5-tricarboxylic acid;vanadium

benzene-1,3,5-tricarboxylic acid;vanadium (PubChem CID 166458102) has the molecular formula C9H6O6V and a molecular weight of 261.08 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid;vanadium.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid;vanadium
PubChem CID166458102
Molecular FormulaC9H6O6V
Molecular Weight261.08 g/mol
Exact Mass260.96
IUPAC Namebenzene-1,3,5-tricarboxylic acid;vanadium
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[V]
InChIInChI=1S/C9H6O6.V/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);
InChIKeyGIULJSCLRBEVLW-UHFFFAOYSA-N
XLogP0.78
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid;vanadium?
The IUPAC name of benzene-1,3,5-tricarboxylic acid;vanadium (CID 166458102) is benzene-1,3,5-tricarboxylic acid;vanadium.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid;vanadium?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid;vanadium is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[V].
What is the InChIKey of benzene-1,3,5-tricarboxylic acid;vanadium?
The InChIKey is GIULJSCLRBEVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6.V/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);.
What are the key properties of benzene-1,3,5-tricarboxylic acid;vanadium?
benzene-1,3,5-tricarboxylic acid;vanadium has a molecular weight of 261.08 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarboxylic acid;vanadium is sourced from PubChem (CID 166458102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).