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
-3.4132 0.7669 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4782 -0.2387 -1.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 -0.1955 -0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9057 -0.4254 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8219 -0.6963 1.1859 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4808 -0.3691 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -0.6170 2.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5055 -0.0727 0.0868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 0.0163 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 -0.1657 1.5965 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8731 0.3521 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9923 1.7842 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3587 0.7660 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5619 0.5486 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 0.0306 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9352 -1.2445 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 -0.8432 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4824 -0.6166 2.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7762 -0.2326 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5061 0.0744 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1358 1.4351 -0.5312 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