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
    2.7623   -0.5614    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002   -0.7505    0.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4514    0.0314   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695    0.8748   -0.9948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802   -0.1399    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3419   -1.0566    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575    0.7001   -0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    2.0594   -0.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432    0.2853   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   -1.5025   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683   -0.3504    1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3789   -1.2323    1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6019   -1.6710    1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140    0.5672   -1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9795    0.4110   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204    2.3354   -0.9495 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