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
    2.6786   -0.6996    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696   -0.7590    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.4642   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637    1.5287   -0.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.5215   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950    1.7034   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.7195   -0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6202   -1.4589    0.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -1.6904    0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568   -0.2122   -0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673   -0.1041    1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4537    1.7831   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520    2.6331   -0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229   -1.3720   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -0.4273   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672   -1.1908    1.3560 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