naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid

C24H16O8 — CID 158292853

IUPACnaphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2ccccc12.O=C(O)c1ccc2ccccc2c1C(=O)O
InChIInChI=1S/2C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h2*1-6H,(H,13,14)(H,15,16)
InChIKeyGLOJPZRZRONPLU-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.47
Rot. Bonds4

About naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid

naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid (PubChem CID 158292853) has the molecular formula C24H16O8 and a molecular weight of 432.38 g/mol. Its IUPAC name is naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Namenaphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
PubChem CID158292853
Molecular FormulaC24H16O8
Molecular Weight432.38 g/mol
Exact Mass432.08
IUPAC Namenaphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2ccccc12.O=C(O)c1ccc2ccccc2c1C(=O)O
InChIInChI=1S/2C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h2*1-6H,(H,13,14)(H,15,16)
InChIKeyGLOJPZRZRONPLU-UHFFFAOYSA-N
XLogP4.47
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
heptanedioic acid;naphthalene-1,2-dicarboxylic acid
CID 70413423
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
1H-imidazole;naphthalene-1,2-dicarboxylic acid
CID 69093080
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
1-sulfanylnaphthalene-2-carboxylic acid
CID 22336604
1-(2-sulfanylethoxycarbonyl)naphthalene-2-carboxylic acid
CID 139940813

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid?
The IUPAC name of naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid (CID 158292853) is naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid?
The canonical SMILES for naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)c2ccccc12.O=C(O)c1ccc2ccccc2c1C(=O)O.
What is the InChIKey of naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid?
The InChIKey is GLOJPZRZRONPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h2*1-6H,(H,13,14)(H,15,16).
What are the key properties of naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid?
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid has a molecular weight of 432.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 158292853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).