CID 86730690

C11H12Na2O5 — CID 86730690

IUPAC—
SMILESCCOCc1cccc(C(=O)O)c1C(=O)O.[Na].[Na]
InChIInChI=1S/C11H12O5.2Na/c1-2-16-6-7-4-3-5-8(10(12)13)9(7)11(14)15;;/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15);;
InChIKeyVFMBUHCZHUHAGC-UHFFFAOYSA-N
MW270.19 g/mol
LogP0.86
Rot. Bonds5

About CID 86730690

CID 86730690 (PubChem CID 86730690) has the molecular formula C11H12Na2O5 and a molecular weight of 270.19 g/mol.

Molecular Properties

Compound NameCID 86730690
PubChem CID86730690
Molecular FormulaC11H12Na2O5
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name—
SMILESCCOCc1cccc(C(=O)O)c1C(=O)O.[Na].[Na]
InChIInChI=1S/C11H12O5.2Na/c1-2-16-6-7-4-3-5-8(10(12)13)9(7)11(14)15;;/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15);;
InChIKeyVFMBUHCZHUHAGC-UHFFFAOYSA-N
XLogP0.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172943535
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CID 177243799
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Frequently Asked Questions

What is the IUPAC name of CID 86730690?
The IUPAC name of CID 86730690 (CID 86730690) is not available.
What is the SMILES notation for CID 86730690?
The canonical SMILES for CID 86730690 is CCOCc1cccc(C(=O)O)c1C(=O)O.[Na].[Na].
What is the InChIKey of CID 86730690?
The InChIKey is VFMBUHCZHUHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5.2Na/c1-2-16-6-7-4-3-5-8(10(12)13)9(7)11(14)15;;/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15);;.
What are the key properties of CID 86730690?
CID 86730690 has a molecular weight of 270.19 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86730690 is sourced from PubChem (CID 86730690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).