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
5.0040 0.0682 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3013 1.0677 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8866 0.9379 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 1.8979 0.5276 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 -0.2009 -0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7702 -0.2815 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1333 0.0991 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 0.0270 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0186 -0.4334 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1109 -0.8131 1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 -0.7430 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4599 -0.5134 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9268 -0.9331 1.6727 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3669 -0.0858 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5045 -0.8559 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 0.1315 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8112 1.9808 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2682 0.4628 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1922 0.3348 -1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 -1.1778 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9653 -1.0453 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0609 0.8598 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5357 -0.9003 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3876 0.1159 -0.0703 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