sodium;ethyl carbonochloridate;hydroxide

C3H6ClNaO3 — CID 159645066

IUPACsodium;ethyl carbonochloridate;hydroxide
SMILESCCOC(=O)Cl.[Na+].[OH-]
InChIInChI=1S/C3H5ClO2.Na.H2O/c1-2-6-3(4)5;;/h2H2,1H3;;1H2/q;+1;/p-1
InChIKeyMQVVARMVGKJSAX-UHFFFAOYSA-M
MW148.52 g/mol
LogP-1.79
Rot. Bonds1

About sodium;ethyl carbonochloridate;hydroxide

sodium;ethyl carbonochloridate;hydroxide (PubChem CID 159645066) has the molecular formula C3H6ClNaO3 and a molecular weight of 148.52 g/mol. Its IUPAC name is sodium;ethyl carbonochloridate;hydroxide.

Molecular Properties

Compound Namesodium;ethyl carbonochloridate;hydroxide
PubChem CID159645066
Molecular FormulaC3H6ClNaO3
Molecular Weight148.52 g/mol
Exact Mass147.99
IUPAC Namesodium;ethyl carbonochloridate;hydroxide
SMILESCCOC(=O)Cl.[Na+].[OH-]
InChIInChI=1S/C3H5ClO2.Na.H2O/c1-2-6-3(4)5;;/h2H2,1H3;;1H2/q;+1;/p-1
InChIKeyMQVVARMVGKJSAX-UHFFFAOYSA-M
XLogP-1.79
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.52
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl carbamate
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ethyl carbamate
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ethyl carbamate
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Frequently Asked Questions

What is the IUPAC name of sodium;ethyl carbonochloridate;hydroxide?
The IUPAC name of sodium;ethyl carbonochloridate;hydroxide (CID 159645066) is sodium;ethyl carbonochloridate;hydroxide.
What is the SMILES notation for sodium;ethyl carbonochloridate;hydroxide?
The canonical SMILES for sodium;ethyl carbonochloridate;hydroxide is CCOC(=O)Cl.[Na+].[OH-].
What is the InChIKey of sodium;ethyl carbonochloridate;hydroxide?
The InChIKey is MQVVARMVGKJSAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5ClO2.Na.H2O/c1-2-6-3(4)5;;/h2H2,1H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;ethyl carbonochloridate;hydroxide?
sodium;ethyl carbonochloridate;hydroxide has a molecular weight of 148.52 g/mol, XLogP of -1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl carbonochloridate;hydroxide is sourced from PubChem (CID 159645066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).