sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate

C10H7NaO5 — CID 23666541

IUPACsodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate
SMILESCOC(=O)c1c([O-])oc2ccc(O)cc12.[Na+]
InChIInChI=1S/C10H8O5.Na/c1-14-9(12)8-6-4-5(11)2-3-7(6)15-10(8)13;/h2-4,11,13H,1H3;/q;+1/p-1
InChIKeyJZPGFAPSLDMVKF-UHFFFAOYSA-M
MW230.15 g/mol
LogP-2.00
Rot. Bonds1

About sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate

sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate (PubChem CID 23666541) has the molecular formula C10H7NaO5 and a molecular weight of 230.15 g/mol. Its IUPAC name is sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate.

Molecular Properties

Compound Namesodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate
PubChem CID23666541
Molecular FormulaC10H7NaO5
Molecular Weight230.15 g/mol
Exact Mass230.02
IUPAC Namesodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate
SMILESCOC(=O)c1c([O-])oc2ccc(O)cc12.[Na+]
InChIInChI=1S/C10H8O5.Na/c1-14-9(12)8-6-4-5(11)2-3-7(6)15-10(8)13;/h2-4,11,13H,1H3;/q;+1/p-1
InChIKeyJZPGFAPSLDMVKF-UHFFFAOYSA-M
XLogP-2.00
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate?
The IUPAC name of sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate (CID 23666541) is sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate.
What is the SMILES notation for sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate?
The canonical SMILES for sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate is COC(=O)c1c([O-])oc2ccc(O)cc12.[Na+].
What is the InChIKey of sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate?
The InChIKey is JZPGFAPSLDMVKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O5.Na/c1-14-9(12)8-6-4-5(11)2-3-7(6)15-10(8)13;/h2-4,11,13H,1H3;/q;+1/p-1.
What are the key properties of sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate?
sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate has a molecular weight of 230.15 g/mol, XLogP of -2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-hydroxy-3-methoxycarbonyl-1-benzofuran-2-olate is sourced from PubChem (CID 23666541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).