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
3.2726 0.9055 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 -0.5451 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7293 -0.9703 0.0542 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5291 -0.4599 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5927 0.4560 -1.2681 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7403 -0.9712 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 -1.9351 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9398 -0.4567 -0.3936 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5946 0.6168 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 1.1496 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 1.1714 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3867 1.0010 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0203 1.5502 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8234 1.2678 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7443 -1.1551 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1957 -0.7314 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1351 -2.3390 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 -2.3316 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8578 2.2488 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6722 0.8585 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1587 0.6696 -1.2711 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