disodium phenyl carbonate

C14H10Na2O6 — CID 175143803

IUPACdisodium phenyl carbonate
SMILESO=C([O-])Oc1ccccc1.O=C([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C7H6O3.2Na/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);;/q;;2*+1/p-2
InChIKeyXPIPDBBWMZWWQS-UHFFFAOYSA-L
MW320.21 g/mol
LogP-5.17
Rot. Bonds2

About disodium phenyl carbonate

disodium phenyl carbonate (PubChem CID 175143803) has the molecular formula C14H10Na2O6 and a molecular weight of 320.21 g/mol. Its IUPAC name is disodium phenyl carbonate.

Molecular Properties

Compound Namedisodium phenyl carbonate
PubChem CID175143803
Molecular FormulaC14H10Na2O6
Molecular Weight320.21 g/mol
Exact Mass320.03
IUPAC Namedisodium phenyl carbonate
SMILESO=C([O-])Oc1ccccc1.O=C([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C7H6O3.2Na/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);;/q;;2*+1/p-2
InChIKeyXPIPDBBWMZWWQS-UHFFFAOYSA-L
XLogP-5.17
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 5-5.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

azanium phenyl carbonate
CID 21418846
aluminum phenyl carbonate
CID 175478970
cyclohexane-1,2-dione;phenyl carbonate
CID 21326800
sodium;hydride;phenyl acetate
CID 159991718
diphenyl oxalate;ethane
CID 162013592
sodium (4-nitrophenyl) carbonate
CID 172808838
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
iron;phenyl carbonochloridate
CID 159914445
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of disodium phenyl carbonate?
The IUPAC name of disodium phenyl carbonate (CID 175143803) is disodium phenyl carbonate.
What is the SMILES notation for disodium phenyl carbonate?
The canonical SMILES for disodium phenyl carbonate is O=C([O-])Oc1ccccc1.O=C([O-])Oc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium phenyl carbonate?
The InChIKey is XPIPDBBWMZWWQS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.2Na/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);;/q;;2*+1/p-2.
What are the key properties of disodium phenyl carbonate?
disodium phenyl carbonate has a molecular weight of 320.21 g/mol, XLogP of -5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium phenyl carbonate is sourced from PubChem (CID 175143803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).