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
-4.3400 0.0542 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 -0.5437 0.1183 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 0.2570 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 1.4897 -0.1811 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6092 -0.3179 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4688 -1.6140 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 0.5820 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7733 -0.1290 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9689 0.5548 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8923 1.8047 -0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2873 -0.1364 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3597 1.0413 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6730 0.2199 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0727 -0.6272 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3299 -2.2345 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5203 -2.0307 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4688 1.0669 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5491 1.3749 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6237 -0.3889 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0400 0.6108 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3202 -1.0342 0.1602 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