CID 131854846

C8H8NaO4 — CID 131854846

IUPAC—
SMILESO=C(O)COc1ccccc1O.[Na]
InChIInChI=1S/C8H8O4.Na/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4,9H,5H2,(H,10,11);
InChIKeyFHEBCEUWXGADKP-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.47
Rot. Bonds3

About CID 131854846

CID 131854846 (PubChem CID 131854846) has the molecular formula C8H8NaO4 and a molecular weight of 191.14 g/mol.

Molecular Properties

Compound NameCID 131854846
PubChem CID131854846
Molecular FormulaC8H8NaO4
Molecular Weight191.14 g/mol
Exact Mass191.03
IUPAC Name—
SMILESO=C(O)COc1ccccc1O.[Na]
InChIInChI=1S/C8H8O4.Na/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4,9H,5H2,(H,10,11);
InChIKeyFHEBCEUWXGADKP-UHFFFAOYSA-N
XLogP0.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 131854846?
The IUPAC name of CID 131854846 (CID 131854846) is not available.
What is the SMILES notation for CID 131854846?
The canonical SMILES for CID 131854846 is O=C(O)COc1ccccc1O.[Na].
What is the InChIKey of CID 131854846?
The InChIKey is FHEBCEUWXGADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.Na/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4,9H,5H2,(H,10,11);.
What are the key properties of CID 131854846?
CID 131854846 has a molecular weight of 191.14 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131854846 is sourced from PubChem (CID 131854846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).