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
4.8098 -1.1907 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4183 -0.0082 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 0.2676 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 1.3888 0.2371 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 -0.6853 -0.4355 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6542 -0.4022 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1054 0.1083 -1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4611 0.3576 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 0.0920 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2193 -0.4232 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1155 -0.6809 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4374 0.3507 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9339 0.1047 1.5175 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2996 0.9044 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8832 -1.4077 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 -1.9996 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1064 0.7810 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3398 0.3160 -2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 0.7613 -1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6820 -0.6241 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7090 -1.0853 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3736 0.6803 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1604 2.0049 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0309 0.3895 -1.6316 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