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
    2.8109    0.5849   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055    0.6570   -0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6361   -0.5171    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -1.6551    0.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056   -0.4030    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215   -1.5029    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.9392   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8052    0.7789   -0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639    0.5523    1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.4575   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -0.3727   -0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5972   -1.4457    0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -2.4826    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808    1.5189   -0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    1.5483    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327    0.3420   -0.8769 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