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
-2.2694 0.2018 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1036 -0.5969 0.0742 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0901 0.0054 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 1.2448 -0.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -0.7084 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 -0.0585 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8664 -0.0554 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0114 1.2726 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9103 0.0109 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4038 -1.7592 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3825 -0.5567 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4336 0.9996 -0.9409 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