Monomers
Acrylic acid 4-acetylphenyl ester
Identifiers
IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
-5.2099 0.1830 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3270 -0.5770 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 -0.1599 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 0.9038 0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9464 -0.9326 -0.6165 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -0.5371 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2525 -0.9385 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5772 -0.5654 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0650 0.2422 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1920 0.6277 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 0.2596 -1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 0.6530 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8646 1.3746 -1.5554 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3597 0.2103 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9358 1.1035 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2505 -0.0911 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6472 -1.4877 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1015 -1.5727 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2628 -0.8674 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5499 1.2519 -2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 0.5793 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0369 0.6237 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4569 -0.8858 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3901 0.6025 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 1 0
11 6 1 0
1 15 1 0
1 16 1 0
2 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
11 21 1 0
14 22 1 0
14 23 1 0
14 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers