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
    2.7168    0.5194    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.3997    0.4471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5508   -0.4438   -0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496   -1.1368   -1.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   -0.5410   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974   -1.3552   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593    0.3085    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324    1.6618    0.6157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1808   -0.3966   -0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9328    1.3442   -0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    0.7105    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -1.4072   -0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -1.9442   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    0.0282    1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385    0.0988    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805    2.1537    0.5841 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