CID 158355468

C8H8Na2O2 — CID 158355468

IUPAC—
SMILESCc1ccc(C(=O)O)cc1.[Na].[Na]
InChIInChI=1S/C8H8O2.2Na/c1-6-2-4-7(5-3-6)8(9)10;;/h2-5H,1H3,(H,9,10);;
InChIKeyGSUXZLAKIBZWDF-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.93
Rot. Bonds1

About CID 158355468

CID 158355468 (PubChem CID 158355468) has the molecular formula C8H8Na2O2 and a molecular weight of 182.13 g/mol.

Molecular Properties

Compound NameCID 158355468
PubChem CID158355468
Molecular FormulaC8H8Na2O2
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name—
SMILESCc1ccc(C(=O)O)cc1.[Na].[Na]
InChIInChI=1S/C8H8O2.2Na/c1-6-2-4-7(5-3-6)8(9)10;;/h2-5H,1H3,(H,9,10);;
InChIKeyGSUXZLAKIBZWDF-UHFFFAOYSA-N
XLogP0.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 158355468?
The IUPAC name of CID 158355468 (CID 158355468) is not available.
What is the SMILES notation for CID 158355468?
The canonical SMILES for CID 158355468 is Cc1ccc(C(=O)O)cc1.[Na].[Na].
What is the InChIKey of CID 158355468?
The InChIKey is GSUXZLAKIBZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.2Na/c1-6-2-4-7(5-3-6)8(9)10;;/h2-5H,1H3,(H,9,10);;.
What are the key properties of CID 158355468?
CID 158355468 has a molecular weight of 182.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158355468 is sourced from PubChem (CID 158355468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).