CID 175726263

C8H6Na5O4 — CID 175726263

IUPAC—
SMILESO=C(O)c1cccc(C(=O)O)c1.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/C8H6O4.5Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;
InChIKeyQLQSYOIHICQSBV-UHFFFAOYSA-N
MW281.08 g/mol
LogP-0.82
Rot. Bonds2

About CID 175726263

CID 175726263 (PubChem CID 175726263) has the molecular formula C8H6Na5O4 and a molecular weight of 281.08 g/mol.

Molecular Properties

Compound NameCID 175726263
PubChem CID175726263
Molecular FormulaC8H6Na5O4
Molecular Weight281.08 g/mol
Exact Mass280.98
IUPAC Name—
SMILESO=C(O)c1cccc(C(=O)O)c1.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/C8H6O4.5Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;
InChIKeyQLQSYOIHICQSBV-UHFFFAOYSA-N
XLogP-0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 175726263?
The IUPAC name of CID 175726263 (CID 175726263) is not available.
What is the SMILES notation for CID 175726263?
The canonical SMILES for CID 175726263 is O=C(O)c1cccc(C(=O)O)c1.[Na].[Na].[Na].[Na].[Na].
What is the InChIKey of CID 175726263?
The InChIKey is QLQSYOIHICQSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.5Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;.
What are the key properties of CID 175726263?
CID 175726263 has a molecular weight of 281.08 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175726263 is sourced from PubChem (CID 175726263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).