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
    2.3282   -0.0359    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -0.5979    0.3225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238    0.1267    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0149    1.3829    0.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924   -0.5222    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309    0.1313    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701   -0.6514   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945   -0.1176    1.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    1.0075    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -1.5996    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.3331   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939    1.2093    0.0902 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