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
    2.8445    0.1776   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.0340   -0.3945 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719    0.2481    0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.5877    1.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474    0.0820    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952    0.2939    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -0.3091   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6688   -0.4263   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    0.8072   -1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    0.7097    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   -0.8223   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039    0.5810    2.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476    0.1716    1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392    0.4583   -1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -1.2647   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516   -1.3286   -1.3853 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