sodium;acetic acid;prop-2-enoic acid

C5H7NaO4 — CID 157405919

IUPACsodium;acetic acid;prop-2-enoic acid
SMILESC=CC(=O)O.[CH2-]C(=O)O.[Na+]
InChIInChI=1S/C3H4O2.C2H3O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H,4,5);1H2,(H,3,4);/q;-1;+1
InChIKeyDGJOTDZNTKXGEO-UHFFFAOYSA-N
MW154.10 g/mol
LogP-2.83
Rot. Bonds1

About sodium;acetic acid;prop-2-enoic acid

sodium;acetic acid;prop-2-enoic acid (PubChem CID 157405919) has the molecular formula C5H7NaO4 and a molecular weight of 154.10 g/mol. Its IUPAC name is sodium;acetic acid;prop-2-enoic acid.

Molecular Properties

Compound Namesodium;acetic acid;prop-2-enoic acid
PubChem CID157405919
Molecular FormulaC5H7NaO4
Molecular Weight154.10 g/mol
Exact Mass154.02
IUPAC Namesodium;acetic acid;prop-2-enoic acid
SMILESC=CC(=O)O.[CH2-]C(=O)O.[Na+]
InChIInChI=1S/C3H4O2.C2H3O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H,4,5);1H2,(H,3,4);/q;-1;+1
InChIKeyDGJOTDZNTKXGEO-UHFFFAOYSA-N
XLogP-2.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
sodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173229476
disodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173032762

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;prop-2-enoic acid?
The IUPAC name of sodium;acetic acid;prop-2-enoic acid (CID 157405919) is sodium;acetic acid;prop-2-enoic acid.
What is the SMILES notation for sodium;acetic acid;prop-2-enoic acid?
The canonical SMILES for sodium;acetic acid;prop-2-enoic acid is C=CC(=O)O.[CH2-]C(=O)O.[Na+].
What is the InChIKey of sodium;acetic acid;prop-2-enoic acid?
The InChIKey is DGJOTDZNTKXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H3O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H,4,5);1H2,(H,3,4);/q;-1;+1.
What are the key properties of sodium;acetic acid;prop-2-enoic acid?
sodium;acetic acid;prop-2-enoic acid has a molecular weight of 154.10 g/mol, XLogP of -2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;prop-2-enoic acid is sourced from PubChem (CID 157405919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).