CID 172864174

C14H12Na2O3 — CID 172864174

IUPAC—
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.[Na].[Na]
InChIInChI=1S/C14H12O3.2Na/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;;/h2-9,15H,1H3;;
InChIKeyZTKZOZOPACHNPT-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.87
Rot. Bonds3

About CID 172864174

CID 172864174 (PubChem CID 172864174) has the molecular formula C14H12Na2O3 and a molecular weight of 274.23 g/mol.

Molecular Properties

Compound NameCID 172864174
PubChem CID172864174
Molecular FormulaC14H12Na2O3
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name—
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.[Na].[Na]
InChIInChI=1S/C14H12O3.2Na/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;;/h2-9,15H,1H3;;
InChIKeyZTKZOZOPACHNPT-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172864174?
The IUPAC name of CID 172864174 (CID 172864174) is not available.
What is the SMILES notation for CID 172864174?
The canonical SMILES for CID 172864174 is COc1ccc(C(=O)c2ccccc2)c(O)c1.[Na].[Na].
What is the InChIKey of CID 172864174?
The InChIKey is ZTKZOZOPACHNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.2Na/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;;/h2-9,15H,1H3;;.
What are the key properties of CID 172864174?
CID 172864174 has a molecular weight of 274.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172864174 is sourced from PubChem (CID 172864174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).