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
    2.5647   -1.1379   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.8790   -0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    0.3846   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110    1.3422   -0.3247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525    0.6722    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2030    1.9115    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7012   -0.3996    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -1.3232   -0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -2.1880   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556   -0.4367   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1465   -0.9007    0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    2.7353   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2111    2.2019    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -0.0636    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578   -0.9824    1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201   -0.9367   -1.1658 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