sodium;hydride;3-methoxyprop-2-enoic acid

C4H7NaO3 — CID 175287980

IUPACsodium;hydride;3-methoxyprop-2-enoic acid
SMILESCOC=CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O3.Na.H/c1-7-3-2-4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1
InChIKeyXCIDMYKWPJAQEZ-UHFFFAOYSA-N
MW126.09 g/mol
LogP-2.65
Rot. Bonds2

About sodium;hydride;3-methoxyprop-2-enoic acid

sodium;hydride;3-methoxyprop-2-enoic acid (PubChem CID 175287980) has the molecular formula C4H7NaO3 and a molecular weight of 126.09 g/mol. Its IUPAC name is sodium;hydride;3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Namesodium;hydride;3-methoxyprop-2-enoic acid
PubChem CID175287980
Molecular FormulaC4H7NaO3
Molecular Weight126.09 g/mol
Exact Mass126.03
IUPAC Namesodium;hydride;3-methoxyprop-2-enoic acid
SMILESCOC=CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O3.Na.H/c1-7-3-2-4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1
InChIKeyXCIDMYKWPJAQEZ-UHFFFAOYSA-N
XLogP-2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-2.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-methoxyprop-2-enoic acid?
The IUPAC name of sodium;hydride;3-methoxyprop-2-enoic acid (CID 175287980) is sodium;hydride;3-methoxyprop-2-enoic acid.
What is the SMILES notation for sodium;hydride;3-methoxyprop-2-enoic acid?
The canonical SMILES for sodium;hydride;3-methoxyprop-2-enoic acid is COC=CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-methoxyprop-2-enoic acid?
The InChIKey is XCIDMYKWPJAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.Na.H/c1-7-3-2-4(5)6;;/h2-3H,1H3,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;hydride;3-methoxyprop-2-enoic acid?
sodium;hydride;3-methoxyprop-2-enoic acid has a molecular weight of 126.09 g/mol, XLogP of -2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-methoxyprop-2-enoic acid is sourced from PubChem (CID 175287980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).