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
    2.9308   -0.0190   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.5032   -0.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    0.1997   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146    1.2688   -1.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704   -0.2465    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224   -1.3463    0.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    0.5834   -0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    0.6612   -1.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.0641   -1.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259    1.0216   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7604   -0.6518   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141   -2.0273    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008   -1.6287    1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892    0.1405    0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626    1.5826    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0415    0.9008   -1.6865 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