sodium;naphthalene;acetate

C12H11NaO2 — CID 69344549

IUPACsodium;naphthalene;acetate
SMILESCC(=O)[O-].[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.Na/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-8H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyWTNXXLGBAMZWRP-UHFFFAOYSA-M
MW210.21 g/mol
LogP-1.40
Rot. Bonds

About sodium;naphthalene;acetate

sodium;naphthalene;acetate (PubChem CID 69344549) has the molecular formula C12H11NaO2 and a molecular weight of 210.21 g/mol. Its IUPAC name is sodium;naphthalene;acetate.

Molecular Properties

Compound Namesodium;naphthalene;acetate
PubChem CID69344549
Molecular FormulaC12H11NaO2
Molecular Weight210.21 g/mol
Exact Mass210.07
IUPAC Namesodium;naphthalene;acetate
SMILESCC(=O)[O-].[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.Na/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-8H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyWTNXXLGBAMZWRP-UHFFFAOYSA-M
XLogP-1.40
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;naphthalene;acetate?
The IUPAC name of sodium;naphthalene;acetate (CID 69344549) is sodium;naphthalene;acetate.
What is the SMILES notation for sodium;naphthalene;acetate?
The canonical SMILES for sodium;naphthalene;acetate is CC(=O)[O-].[Na+].c1ccc2ccccc2c1.
What is the InChIKey of sodium;naphthalene;acetate?
The InChIKey is WTNXXLGBAMZWRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8.C2H4O2.Na/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-8H;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;naphthalene;acetate?
sodium;naphthalene;acetate has a molecular weight of 210.21 g/mol, XLogP of -1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;naphthalene;acetate is sourced from PubChem (CID 69344549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).