Monomers
Methyl 2-(acetoxymethyl)acrylate
Identifiers
IUPAC name
methyl 2-(acetyloxymethyl)prop-2-enoate
InchI
InChI=1S/C7H10O4/c1-5(7(9)10-3)4-11-6(2)8/h1,4H2,2-3H3
InchI Key
IMOQCGSCOCUDGV-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(=O)C
Canonical SMILES
CC(=O)OCC(=C)C(=O)OC
Isomeric SMILES
CC(=O)OCC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O4
Heavy Atom Count
11
Molecular Weight
158.153
Exact Molecular Weight
158.0579
Valence Electrons
62
Radical Electrons
0
tPSA
52.6
MolLogP
0.2787
H Bond Acceptors
4
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
21 20 0 0 0 0 0 0 0 0999 V2000
2.8726 1.3101 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7773 0.6664 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 -0.6324 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1632 -1.1888 1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3231 -1.3329 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -2.5675 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5086 -0.6630 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1197 0.5092 -0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9927 0.4555 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1977 -0.6752 0.7634 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6676 1.6681 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3806 1.8982 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5711 0.5193 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5934 1.9223 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6300 -3.0422 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8004 -3.0942 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2172 -0.3266 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1931 -1.3567 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7089 1.3729 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 2.4832 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 2.0742 1.6857 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
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
11 19 1 0
11 20 1 0
11 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers