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
    2.1877   -0.6897   -0.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.9482   -0.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661    0.0822   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466    1.2436   -0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571   -0.1256    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860    0.8956    0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453   -1.4180   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -0.9532   -1.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754    0.3495   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443   -1.1013    0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3173    0.7617    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615    1.9033    0.0820 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