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
   -2.3312    0.1242    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0803   -0.5502   -0.0803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163    0.1098   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864    1.3647   -0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569   -0.6444   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100   -0.0179   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2479    0.8832    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584    0.5717   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -0.6403    0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -1.7216   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508    1.0609   -0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484   -0.5401   -0.6394 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