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
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
-2.0810 -0.1484 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 0.0123 0.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0752 -0.1352 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5707 -0.4230 -1.7632 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 0.0256 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1887 0.3260 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3469 -1.1645 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5656 0.1578 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4865 0.5407 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -0.1007 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 0.4601 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2387 0.4494 0.2965 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