Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2728    0.1475    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.4947    0.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712    0.0310    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    1.0057   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853   -0.5403    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024   -0.0419   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294   -0.1596    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755   -0.1103   -0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    1.2373    0.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5163   -1.3741    1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256    0.7927   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3707   -0.4932   -0.1461 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
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers