2-carboxyphenolate;1H-imidazol-3-ium

C10H10N2O3 — CID 66830803

IUPAC2-carboxyphenolate;1H-imidazol-3-ium
SMILESO=C(O)c1ccccc1[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyXCHHJFVNQPPLJK-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.29
Rot. Bonds1

About 2-carboxyphenolate;1H-imidazol-3-ium

2-carboxyphenolate;1H-imidazol-3-ium (PubChem CID 66830803) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-carboxyphenolate;1H-imidazol-3-ium.

Molecular Properties

Compound Name2-carboxyphenolate;1H-imidazol-3-ium
PubChem CID66830803
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-carboxyphenolate;1H-imidazol-3-ium
SMILESO=C(O)c1ccccc1[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyXCHHJFVNQPPLJK-UHFFFAOYSA-N
XLogP0.29
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;1H-imidazol-3-ium?
The IUPAC name of 2-carboxyphenolate;1H-imidazol-3-ium (CID 66830803) is 2-carboxyphenolate;1H-imidazol-3-ium.
What is the SMILES notation for 2-carboxyphenolate;1H-imidazol-3-ium?
The canonical SMILES for 2-carboxyphenolate;1H-imidazol-3-ium is O=C(O)c1ccccc1[O-].c1c[nH+]c[nH]1.
What is the InChIKey of 2-carboxyphenolate;1H-imidazol-3-ium?
The InChIKey is XCHHJFVNQPPLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5).
What are the key properties of 2-carboxyphenolate;1H-imidazol-3-ium?
2-carboxyphenolate;1H-imidazol-3-ium has a molecular weight of 206.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;1H-imidazol-3-ium is sourced from PubChem (CID 66830803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).