Monomers
2-Propenoic acid, 2-(acetyloxy)-, ethyl ester
Identifiers
IUPAC name
ethyl 2-acetyloxyprop-2-enoate
InchI
InChI=1S/C7H10O4/c1-4-10-7(9)5(2)11-6(3)8/h2,4H2,1,3H3
InchI Key
UMSUVRQADXVIDD-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)OC(=O)C
Canonical SMILES
CCOC(=O)C(=C)OC(=O)C
Isomeric SMILES
CCOC(=O)C(=C)OC(=O)C
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
0.6263
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
-4.0085 -0.1768 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7762 -0.8097 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6711 0.0048 -0.1294 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3760 -0.2464 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1932 -1.2690 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7126 0.6345 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4718 1.6931 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 0.3822 -0.5396 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8805 -0.4062 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4243 -0.8801 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2694 -0.7147 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9244 -0.7495 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0919 0.9004 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8554 -0.1200 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9306 -0.7899 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -1.8260 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 2.3712 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5479 1.8729 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5658 -1.6896 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4811 -0.6707 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9268 0.0503 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 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
2 15 1 0
2 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