naphthalene-1,2-dicarboxylic acid;hydrochloride

C12H9ClO4 — CID 67387751

IUPACnaphthalene-1,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C12H8O4.ClH/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;/h1-6H,(H,13,14)(H,15,16);1H
InChIKeyXUNHVWZRQLSBCY-UHFFFAOYSA-N
MW252.65 g/mol
LogP2.66
Rot. Bonds2

About naphthalene-1,2-dicarboxylic acid;hydrochloride

naphthalene-1,2-dicarboxylic acid;hydrochloride (PubChem CID 67387751) has the molecular formula C12H9ClO4 and a molecular weight of 252.65 g/mol. Its IUPAC name is naphthalene-1,2-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Namenaphthalene-1,2-dicarboxylic acid;hydrochloride
PubChem CID67387751
Molecular FormulaC12H9ClO4
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Namenaphthalene-1,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C12H8O4.ClH/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;/h1-6H,(H,13,14)(H,15,16);1H
InChIKeyXUNHVWZRQLSBCY-UHFFFAOYSA-N
XLogP2.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
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
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
1H-imidazole;naphthalene-1,2-dicarboxylic acid
CID 69093080
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
2-borononaphthalene-1-carboxylic acid
CID 67024077
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2-dicarboxylic acid;hydrochloride?
The IUPAC name of naphthalene-1,2-dicarboxylic acid;hydrochloride (CID 67387751) is naphthalene-1,2-dicarboxylic acid;hydrochloride.
What is the SMILES notation for naphthalene-1,2-dicarboxylic acid;hydrochloride?
The canonical SMILES for naphthalene-1,2-dicarboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2ccccc2c1C(=O)O.
What is the InChIKey of naphthalene-1,2-dicarboxylic acid;hydrochloride?
The InChIKey is XUNHVWZRQLSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.ClH/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16;/h1-6H,(H,13,14)(H,15,16);1H.
What are the key properties of naphthalene-1,2-dicarboxylic acid;hydrochloride?
naphthalene-1,2-dicarboxylic acid;hydrochloride has a molecular weight of 252.65 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 67387751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).