Monomers
Phenyl 4-(acryloyloxy)benzoate
Identifiers
IUPAC name
phenyl 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C16H12O4/c1-2-15(17)19-14-10-8-12(9-11-14)16(18)20-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
SNLMOIAMOXTSGA-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H12O4
Heavy Atom Count
20
Molecular Weight
268.268
Exact Molecular Weight
268.0736
Valence Electrons
100
Radical Electrons
0
tPSA
52.6
MolLogP
2.9972
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
32 33 0 0 0 0 0 0 0 0999 V2000
7.2600 -0.3329 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2814 -1.1120 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9021 -0.6393 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6364 0.5207 -0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9004 -1.4800 0.6084 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 -1.0407 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 -0.3794 1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6960 0.0457 1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 -0.1874 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5652 -0.8500 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -1.2871 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 0.2671 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9905 0.8716 1.2483 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1995 0.0483 -0.8332 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5155 0.4760 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5141 -0.3795 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8572 -0.0146 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2210 1.2235 -1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2199 2.0986 -1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8934 1.7115 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -0.6709 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0416 0.6516 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5162 -2.0943 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5812 -0.1932 2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 0.5647 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0165 -1.0273 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3441 -1.8086 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2572 -1.3442 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6552 -0.6672 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2399 1.5572 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5205 3.0727 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1494 2.3993 -1.7238 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
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
11 6 1 0
20 15 1 0
1 21 1 0
1 22 1 0
2 23 1 0
7 24 1 0
8 25 1 0
10 26 1 0
11 27 1 0
16 28 1 0
17 29 1 0
18 30 1 0
19 31 1 0
20 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers