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
    2.2467    0.5108   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9554    0.6408   -0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806   -0.0548    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626   -0.7528    1.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353    0.0054   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940   -0.6470    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7501   -0.4251   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879    1.3564   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    0.6066    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572    0.5963   -1.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -1.2384    1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132   -0.5983   -0.2186 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