hydron;phthalic acid

C8H12O4+6 — CID 67386665

IUPAChydron;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.[H+].[H+].[H+].[H+].[H+].[H+]
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p+6
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-T
MW172.18 g/mol
LogP1.76
Rot. Bonds2

About hydron;phthalic acid

hydron;phthalic acid (PubChem CID 67386665) has the molecular formula C8H12O4+6 and a molecular weight of 172.18 g/mol. Its IUPAC name is hydron;phthalic acid.

Molecular Properties

Compound Namehydron;phthalic acid
PubChem CID67386665
Molecular FormulaC8H12O4+6
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namehydron;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.[H+].[H+].[H+].[H+].[H+].[H+]
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p+6
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-T
XLogP1.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66717184
CID 66717184
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CID 175440203
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CID 174659618
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CID 22501626
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Frequently Asked Questions

What is the IUPAC name of hydron;phthalic acid?
The IUPAC name of hydron;phthalic acid (CID 67386665) is hydron;phthalic acid.
What is the SMILES notation for hydron;phthalic acid?
The canonical SMILES for hydron;phthalic acid is O=C(O)c1ccccc1C(=O)O.[H+].[H+].[H+].[H+].[H+].[H+].
What is the InChIKey of hydron;phthalic acid?
The InChIKey is XNGIFLGASWRNHJ-UHFFFAOYSA-T. The full InChI is InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p+6.
What are the key properties of hydron;phthalic acid?
hydron;phthalic acid has a molecular weight of 172.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phthalic acid is sourced from PubChem (CID 67386665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).