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
   -2.3124   -0.0083   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -0.1971   -0.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    0.0032    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466    0.3391    1.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -0.1615   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    0.0377    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1442   -0.3492   -0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635    1.0712    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3480   -0.5369    0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405   -0.4455   -1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790   -0.0795   -0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    0.3266    1.3462 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