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
   -2.2693   -0.4495   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787   -0.7552   -0.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    0.0123   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1658    0.9426    0.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -0.1846   -0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.5921   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8912   -1.3619   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2081    0.1198    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7570    0.2092   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6801   -0.9769   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.4545   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    1.3977    0.5936 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