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
    2.6243   -0.2388   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   -0.3303   -0.6786 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059    0.1438    0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450    0.6587    1.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.0765    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740    0.5418    1.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.5426   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    0.2259   -1.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -0.7347   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864    0.8205   -0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -0.7931   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440    0.4754    1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.9879    2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191   -0.5780   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549   -1.5556   -0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782    0.8426   -1.7243 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