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
4.1412 0.5827 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7606 0.4700 -0.7481 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8629 -0.2000 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2926 -0.7374 1.0945 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 -0.2974 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0278 0.2764 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4680 -1.0046 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8029 -0.9813 0.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6121 0.1161 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 1.2431 0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0270 0.0614 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7041 0.4990 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3459 1.6081 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4774 -0.2124 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.8021 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9858 0.2306 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4483 -0.5801 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -2.0933 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1922 -0.8302 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7275 0.0689 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1959 0.9783 -0.9735 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