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
-3.6937 1.1712 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8408 0.0507 0.1982 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5453 0.2009 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 1.3472 -0.3527 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7086 -0.9471 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -2.1526 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 -0.7751 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4535 -0.0679 0.0457 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7862 0.1545 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2767 -0.2610 -1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7103 0.8820 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 1.3229 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6452 1.0089 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2173 2.0646 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 -3.0210 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2374 -2.3313 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7452 -0.2304 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1155 -1.7749 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6384 1.9738 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 0.5929 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4109 0.7914 1.7139 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