CID 66671873

C7H6NaO3 — CID 66671873

IUPAC—
SMILESO=C(O)c1cccc(O)c1.[Na]
InChIInChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyDXIWTHPMLLOENS-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.71
Rot. Bonds1

About CID 66671873

CID 66671873 (PubChem CID 66671873) has the molecular formula C7H6NaO3 and a molecular weight of 161.11 g/mol.

Molecular Properties

Compound NameCID 66671873
PubChem CID66671873
Molecular FormulaC7H6NaO3
Molecular Weight161.11 g/mol
Exact Mass161.02
IUPAC Name—
SMILESO=C(O)c1cccc(O)c1.[Na]
InChIInChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyDXIWTHPMLLOENS-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 66671873?
The IUPAC name of CID 66671873 (CID 66671873) is not available.
What is the SMILES notation for CID 66671873?
The canonical SMILES for CID 66671873 is O=C(O)c1cccc(O)c1.[Na].
What is the InChIKey of CID 66671873?
The InChIKey is DXIWTHPMLLOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);.
What are the key properties of CID 66671873?
CID 66671873 has a molecular weight of 161.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66671873 is sourced from PubChem (CID 66671873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).