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
3.1678 0.9905 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3855 0.1874 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 -0.1262 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7387 -0.8437 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.2243 1.0944 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6403 -1.1565 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8427 -1.8547 1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7228 -0.7440 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 0.4475 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0062 1.2332 1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5509 0.8578 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2468 0.8496 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 0.6938 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 2.1006 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 -0.7095 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 0.7838 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8513 -2.0974 2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0547 -2.2055 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6945 1.9555 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4485 0.4912 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4428 0.3708 -0.1930 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