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
2.1488 0.1160 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7459 0.3167 -0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1686 -0.6470 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 -1.7842 0.5551 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6181 -0.4216 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0814 0.7531 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5111 -0.5169 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5991 1.1325 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4831 -0.2108 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3160 -1.2051 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 0.9368 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3944 1.5306 -0.4516 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