Monomers

Sodium acrylate

Identifiers

IUPAC name
sodium;prop-2-enoate
InchI
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
InchI Key
NNMHYFLPFNGQFZ-UHFFFAOYSA-M
SMILES
[O-]C(=O)C=C.[Na+]
Canonical SMILES
C=CC(=O)[O-].[Na+]
Isomeric SMILES
C=CC(=O)[O-].[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3NaO2
Heavy Atom Count
6
Molecular Weight
94.045
Exact Molecular Weight
94.0031
Valence Electrons
28
Radical Electrons
0
tPSA
40.13
MolLogP
-4.0737
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  9  7  0  0  0  0  0  0  0  0999 V2000
    1.3485    1.4228   -0.0691 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.2098    0.0575   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2127   -0.6719   -0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061   -0.5263    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    0.2383    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -0.2252   -1.6184    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722    1.3096    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706   -0.2117    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  4  7  1  0
  5  8  1  0
  5  9  1  0
M  CHG  2   1  -1   6   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers