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
4.1928 -0.1254 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 -0.7973 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 0.0782 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4957 -0.4372 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3608 -1.6433 -0.1695 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 0.4003 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4786 1.6604 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9309 -0.2113 0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1604 0.3208 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2815 1.5299 0.6356 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -0.4646 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 0.7182 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9430 -0.9193 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 0.2579 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7692 -1.6221 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7438 -1.2053 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2312 2.3879 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5718 1.9927 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1200 0.1692 -0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1915 -1.4297 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9123 -0.6599 1.1737 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