CID 70471879

C6H6NaO3 — CID 70471879

IUPAC—
SMILESOc1cc(O)cc(O)c1.[Na]
InChIInChI=1S/C6H6O3.Na/c7-4-1-5(8)3-6(9)2-4;/h1-3,7-9H;
InChIKeyATEDDYVUNVYEIN-UHFFFAOYSA-N
MW149.10 g/mol
LogP0.42
Rot. Bonds

About CID 70471879

CID 70471879 (PubChem CID 70471879) has the molecular formula C6H6NaO3 and a molecular weight of 149.10 g/mol.

Molecular Properties

Compound NameCID 70471879
PubChem CID70471879
Molecular FormulaC6H6NaO3
Molecular Weight149.10 g/mol
Exact Mass149.02
IUPAC Name—
SMILESOc1cc(O)cc(O)c1.[Na]
InChIInChI=1S/C6H6O3.Na/c7-4-1-5(8)3-6(9)2-4;/h1-3,7-9H;
InChIKeyATEDDYVUNVYEIN-UHFFFAOYSA-N
XLogP0.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 70471879?
The IUPAC name of CID 70471879 (CID 70471879) is not available.
What is the SMILES notation for CID 70471879?
The canonical SMILES for CID 70471879 is Oc1cc(O)cc(O)c1.[Na].
What is the InChIKey of CID 70471879?
The InChIKey is ATEDDYVUNVYEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.Na/c7-4-1-5(8)3-6(9)2-4;/h1-3,7-9H;.
What are the key properties of CID 70471879?
CID 70471879 has a molecular weight of 149.10 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70471879 is sourced from PubChem (CID 70471879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).