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
-4.0875 0.1249 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7516 -0.3109 0.4089 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.5432 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9739 1.7308 -0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3876 0.0199 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1624 -1.2328 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 0.9562 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9474 0.4078 -0.5601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5172 0.0180 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 0.1586 1.7292 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8682 -0.5704 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2160 0.7137 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7674 -0.7638 0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2791 0.7524 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -1.8491 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7984 -1.7109 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6989 1.8236 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3453 1.3730 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4859 -0.2404 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7334 -1.6824 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4019 -0.2614 -0.2987 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