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
    2.3486    0.1358    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113   -0.3531    0.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040    0.0090    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860    0.7795   -0.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849   -0.4696    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106   -0.0857    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658    0.6543    0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451   -0.6479   -0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    0.9325   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040   -1.1420    1.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4857   -0.4056    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697    0.5927   -0.8169 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