disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate

C14H8N2Na2O6 — CID 135413505

IUPACdisodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate
SMILESO=C(O)c1cc(/N=N/c2ccc([O-])c(C(=O)O)c2)ccc1[O-].[Na+].[Na+]
InChIInChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2/b16-15+;;
InChIKeyZJEFYLVGGFISGT-VRZXRVJBSA-L
MW346.21 g/mol
LogP-4.35
Rot. Bonds4

About disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate

disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate (PubChem CID 135413505) has the molecular formula C14H8N2Na2O6 and a molecular weight of 346.21 g/mol. Its IUPAC name is disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate.

Molecular Properties

Compound Namedisodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate
PubChem CID135413505
Molecular FormulaC14H8N2Na2O6
Molecular Weight346.21 g/mol
Exact Mass346.02
IUPAC Namedisodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate
SMILESO=C(O)c1cc(/N=N/c2ccc([O-])c(C(=O)O)c2)ccc1[O-].[Na+].[Na+]
InChIInChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2/b16-15+;;
InChIKeyZJEFYLVGGFISGT-VRZXRVJBSA-L
XLogP-4.35
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 5-4.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate?
The IUPAC name of disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate (CID 135413505) is disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate.
What is the SMILES notation for disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate?
The canonical SMILES for disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate is O=C(O)c1cc(/N=N/c2ccc([O-])c(C(=O)O)c2)ccc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate?
The InChIKey is ZJEFYLVGGFISGT-VRZXRVJBSA-L. The full InChI is InChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2/b16-15+;;.
What are the key properties of disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate?
disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate has a molecular weight of 346.21 g/mol, XLogP of -4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate is sourced from PubChem (CID 135413505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).