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
    2.9597    0.2888   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.1296    0.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    0.1854   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    0.8322   -1.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -0.2219    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8882   -0.8995    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.1404   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1076   -0.3276   -0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5237    0.6753    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747   -0.5647   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    1.0889   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -1.1554    1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563   -1.2196    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0290    1.2428   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.3232   -1.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5369    0.3878    0.4435 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