naphthalene-1,4-dicarboxylic acid;vanadium

C12H8O4V — CID 175565757

IUPACnaphthalene-1,4-dicarboxylic acid;vanadium
SMILESO=C(O)c1ccc(C(=O)O)c2ccccc12.[V]
InChIInChI=1S/C12H8O4.V/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;/h1-6H,(H,13,14)(H,15,16);
InChIKeyJATXZURKLGTCLH-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.23
Rot. Bonds2

About naphthalene-1,4-dicarboxylic acid;vanadium

naphthalene-1,4-dicarboxylic acid;vanadium (PubChem CID 175565757) has the molecular formula C12H8O4V and a molecular weight of 267.14 g/mol. Its IUPAC name is naphthalene-1,4-dicarboxylic acid;vanadium.

Molecular Properties

Compound Namenaphthalene-1,4-dicarboxylic acid;vanadium
PubChem CID175565757
Molecular FormulaC12H8O4V
Molecular Weight267.14 g/mol
Exact Mass266.99
IUPAC Namenaphthalene-1,4-dicarboxylic acid;vanadium
SMILESO=C(O)c1ccc(C(=O)O)c2ccccc12.[V]
InChIInChI=1S/C12H8O4.V/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;/h1-6H,(H,13,14)(H,15,16);
InChIKeyJATXZURKLGTCLH-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-carboxynaphthalen-1-olate
CID 54707408
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
4-[(4-hydroxynaphthalen-1-yl)disulfanyl]naphthalene-1-carboxylic acid
CID 156822104
4-isothiocyanatonaphthalene-1-carboxylic acid
CID 11694298
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,4-dicarboxylic acid;vanadium?
The IUPAC name of naphthalene-1,4-dicarboxylic acid;vanadium (CID 175565757) is naphthalene-1,4-dicarboxylic acid;vanadium.
What is the SMILES notation for naphthalene-1,4-dicarboxylic acid;vanadium?
The canonical SMILES for naphthalene-1,4-dicarboxylic acid;vanadium is O=C(O)c1ccc(C(=O)O)c2ccccc12.[V].
What is the InChIKey of naphthalene-1,4-dicarboxylic acid;vanadium?
The InChIKey is JATXZURKLGTCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.V/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;/h1-6H,(H,13,14)(H,15,16);.
What are the key properties of naphthalene-1,4-dicarboxylic acid;vanadium?
naphthalene-1,4-dicarboxylic acid;vanadium has a molecular weight of 267.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,4-dicarboxylic acid;vanadium is sourced from PubChem (CID 175565757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).