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
    1.7170   -0.3728    1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -0.3257    0.3076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    0.0353    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    0.3097    1.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    0.0985   -1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    0.4450   -1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -0.3095    1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455   -1.3341    2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    0.4286    2.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668   -0.1358   -2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3198    0.4851   -2.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5090    0.6757   -0.5509 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