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
3.2665 -0.3728 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2914 -1.1853 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9624 -0.7062 -0.1933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 0.5645 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5428 1.2971 -0.9672 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7130 1.1801 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8300 2.4777 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8915 0.6421 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1767 -0.6011 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 -1.4550 0.5514 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5926 -0.9194 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8819 0.2344 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8848 -1.0480 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6569 0.3108 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -1.1360 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3351 -2.2453 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0525 2.9786 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7749 2.9882 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0046 -1.7547 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5345 -1.2299 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2124 -0.0199 0.7499 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