Monomers

Methyl 2-(hydroxymethyl)acrylate

Identifiers

IUPAC name
methyl 2-(hydroxymethyl)prop-2-enoate
InchI
InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
InchI Key
RFUCOAQWQVDBEU-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CO
Canonical SMILES
COC(=O)C(=C)CO
Isomeric SMILES
COC(=O)C(=C)CO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
46.53
MolLogP
-0.2921
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.9636   -0.0420    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626    0.4261   -0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -0.4079   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309   -1.6301    0.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825    0.1297   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648    1.4066   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.8234   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -0.1633   -0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407   -1.0703   -0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6865    0.6929   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515    0.0620    1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.0767   -0.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417    1.7686   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -1.5478   -1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594   -1.3734    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002    0.4956   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers