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
5.0212 0.0044 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 -0.9994 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8502 -0.9346 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 -1.9000 0.5724 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1371 0.1731 -0.3055 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7532 0.1844 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0622 0.6385 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3229 0.6367 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 0.1692 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3940 -0.2892 -1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.2806 -1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5096 0.1604 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1609 -0.2674 -1.0536 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2624 0.6458 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5803 0.9249 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0987 -0.0508 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8222 -1.8836 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6056 1.0072 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.9931 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9847 -0.6535 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 -0.6487 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3131 0.3103 1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3043 1.7679 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7662 0.2920 2.0425 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