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
5.2412 0.0208 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 0.7407 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8982 0.3310 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6102 -0.7224 0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8523 1.0586 -0.5672 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 0.5964 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 -0.2562 -1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3002 -0.7187 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0733 -0.3452 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5239 0.4975 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2343 0.9610 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4451 -0.8216 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9601 -1.5850 -0.8301 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2465 -0.3966 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2890 0.2838 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0364 -0.9125 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5245 1.6449 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5875 -0.5606 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7357 -1.3911 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1296 0.8017 1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 1.6258 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5360 0.6870 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6762 -0.5515 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1605 -0.9878 1.2703 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