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
    2.6747    0.4016   -0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573    0.5369   -0.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4491   -0.5707   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929   -1.6924    0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -0.5022   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365   -1.5924    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    0.8122   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3564    1.7040    0.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594    1.3868   -0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329   -0.0601   -1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581   -0.2130    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -2.5385    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8088   -1.5027    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    1.2724   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    0.6725   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736    1.8857    0.8056 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