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
    2.9460   -0.5740   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166   -0.2500   -0.4429 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6119   -0.1116    0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -0.2870    1.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255    0.2281    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.3970   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679    0.3975    0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    0.7170    0.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523   -1.5192    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    0.2487    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -0.7817   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1358    0.2762   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    0.6503   -1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    1.2376    1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -0.5577    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -0.0712    0.1272 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