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
    2.1488    0.1160   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7459    0.3167   -0.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -0.6470    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.7842    0.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181   -0.4216    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814    0.7531   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -0.5169   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991    1.1325   -0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831   -0.2108    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3160   -1.2051    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1387    0.9368   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3944    1.5306   -0.4516 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