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
    2.6048   -1.1317   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -0.9437   -0.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323    0.3557    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175    1.2776    0.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.6650   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    1.8890    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974   -0.4365   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197   -0.0048   -0.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -2.2207    0.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985   -0.7578   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -0.6921    0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941    2.6630    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254    2.1396    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686   -0.8143   -1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4684   -1.2775    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4638   -0.7110   -0.0690 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