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
3.9056 1.0822 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5417 0.8883 0.1047 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8947 -0.2678 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5423 -1.1275 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 -0.5314 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 -1.6380 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2457 0.5034 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5917 0.2409 -0.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5849 0.1182 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2850 0.2592 1.3881 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -0.1783 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0188 1.5544 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4199 1.7421 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4709 0.1099 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5109 -2.3810 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0997 -1.8873 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0858 1.4696 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2691 0.6081 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3679 -1.1190 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6166 0.6697 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1069 -0.1158 -1.2995 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