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
    2.7985   -0.3016    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -0.4712   -0.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.0016    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    0.5942    1.4181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351   -0.1855   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253   -0.8087   -1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1316    0.3397    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    1.7096    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5299   -0.9207   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188   -0.5661    1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347    0.7790    0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267   -1.1697   -1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667   -0.9750   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922   -0.0844    1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0670    0.0674   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603    1.9916    0.2941 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