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
    2.8802    0.1102    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.5307    0.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.2366    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    1.4684    0.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723   -0.4179    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9556   -1.7408    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.4059    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    1.2703   -0.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995   -0.2913   -0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254   -0.1309    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    1.2125   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -2.3077   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -2.2580    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134    0.9952    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9642   -0.2431    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1153    2.2213   -0.6552 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