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
   -2.0916   -0.1630    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915    0.0252    0.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.1779   -0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -0.5375   -1.6979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519    0.0061   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259    0.3790    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303   -0.1528    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3858   -1.0326   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5126    0.7331   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -0.1530   -1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    0.5544    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.5190    0.5408 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