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
    2.9153    0.0063   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -0.5623   -0.1095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    0.2402    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    1.4687   -0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890   -0.3215    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -1.6128    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481    0.5971    0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824    1.2797   -0.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2615   -0.2740   -1.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6770   -0.4105    0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    1.1126   -0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -2.2365    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -2.1054    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.3888    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    0.0443    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663    1.3853   -0.9386 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