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
    2.9160   -0.2064    0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    0.2706    0.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -0.3831    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.4188   -0.5464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    0.1053    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565    1.2093    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752   -0.6348   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0788    0.0307   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4841    0.1748    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974    0.2624   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012   -1.3033    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    1.6145    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    1.7598    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.6829   -0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387   -0.7082   -1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    0.9101   -0.8436 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