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
    2.9888   -0.1763   -0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6556   -0.5867   -0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6079    0.2933   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842    1.5189   -0.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566   -0.1651    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186   -1.4593    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545    0.7990    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549    0.1465    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -0.8509   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -0.0067    0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    0.8177   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2294   -2.1773   -0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117   -1.8577    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109    1.3182    1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8861    1.5943   -0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771    0.7921    0.2414 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