disodium;phenol;carbonate

C7H6Na2O4 — CID 161303410

IUPACdisodium;phenol;carbonate
SMILESO=C([O-])[O-].Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H6O.CH2O3.2Na/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5,7H;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVHXPKWIMFPMNGX-UHFFFAOYSA-L
MW200.10 g/mol
LogP-7.05
Rot. Bonds

About disodium;phenol;carbonate

disodium;phenol;carbonate (PubChem CID 161303410) has the molecular formula C7H6Na2O4 and a molecular weight of 200.10 g/mol. Its IUPAC name is disodium;phenol;carbonate.

Molecular Properties

Compound Namedisodium;phenol;carbonate
PubChem CID161303410
Molecular FormulaC7H6Na2O4
Molecular Weight200.10 g/mol
Exact Mass200.01
IUPAC Namedisodium;phenol;carbonate
SMILESO=C([O-])[O-].Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H6O.CH2O3.2Na/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5,7H;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVHXPKWIMFPMNGX-UHFFFAOYSA-L
XLogP-7.05
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-7.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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phenol;chloride
CID 23313261
neodymium;phenol
CID 154361260
CID 67496590
CID 67496590
phenol;phosphane
CID 159689182
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450

Frequently Asked Questions

What is the IUPAC name of disodium;phenol;carbonate?
The IUPAC name of disodium;phenol;carbonate (CID 161303410) is disodium;phenol;carbonate.
What is the SMILES notation for disodium;phenol;carbonate?
The canonical SMILES for disodium;phenol;carbonate is O=C([O-])[O-].Oc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;phenol;carbonate?
The InChIKey is VHXPKWIMFPMNGX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O.CH2O3.2Na/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5,7H;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;phenol;carbonate?
disodium;phenol;carbonate has a molecular weight of 200.10 g/mol, XLogP of -7.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phenol;carbonate is sourced from PubChem (CID 161303410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).