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
   -2.3145    0.3798    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886   -0.2471    0.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113    0.0651   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289    0.9914   -0.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715   -0.6416    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038   -0.3109   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296    0.0213    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798    1.4820    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7739    0.0817   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -1.4393    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979    0.4687   -1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.8510   -0.0352 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