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
   -2.2694    0.2018    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1036   -0.5969    0.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0901    0.0054   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    1.2448   -0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528   -0.7084   -0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4355   -0.0585   -0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -0.0554    1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0114    1.2726    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    0.0109   -0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -1.7592   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3825   -0.5567   -0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    0.9996   -0.9409 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