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
    2.1172    0.3475    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7188    0.4215    0.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -0.6750   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -1.7829   -0.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -0.5812   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1799    0.5624    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827    0.3657   -0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115   -0.5248    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    1.2496    0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -1.4674   -0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    1.4467    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581    0.6379    0.0513 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