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
    2.8485   -0.5900    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287   -0.6578    0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490    0.4467   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    1.4947   -0.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039    0.4095   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753    1.4955   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5177   -0.8397    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978   -0.6516    0.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    0.4012   -0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -1.4063   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606   -0.7913    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234    2.3882   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579    1.5420   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -1.6823   -0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -1.1602    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1975   -0.3986   -0.6772 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