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
    2.8842    0.1866   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.5600   -0.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.2193   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068   -1.3201   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    0.2897    0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    1.4519    0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0092   -0.5218    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9104   -1.7538    0.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999   -0.8999   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551    0.4696   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    0.7831    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356    2.1073    0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    1.7876    1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.7273   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278    0.0177    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827   -2.2113    0.5247 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