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
    2.8943    0.1154    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975    0.3546    0.1659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -0.6185   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999   -1.7688   -0.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -0.3843   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217   -1.3323   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681    0.9559    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7277    1.0694    0.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762    0.6773    0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944   -0.9689    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    0.5869   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7787   -1.1421   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425   -2.3406   -0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041    1.1955    1.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.6776   -0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9638    1.9228   -0.1527 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