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
3.5924 0.8461 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6657 -0.1195 -0.1294 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3003 -0.0943 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 0.8420 1.0409 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 -1.1094 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -2.0302 -1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9682 -1.3087 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9235 -0.4291 -0.2788 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3361 0.7914 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 1.4114 0.9434 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5154 1.4945 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9928 0.6339 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1411 1.8679 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4331 0.8761 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 -2.8393 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0627 -1.9356 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3192 -2.3222 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9870 -1.6068 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0004 0.8831 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2196 1.6812 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1467 2.4675 -0.9373 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