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
7.2078 -0.9790 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3919 0.0105 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9657 -0.1540 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5040 -1.2448 -0.5334 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0873 0.8819 0.1391 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 0.7732 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1410 1.0892 -1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7714 0.9615 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 0.5305 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5787 0.2158 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 0.3418 1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 0.4090 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0528 0.6863 -1.5356 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2073 -0.0292 0.6199 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5802 -0.1504 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4565 0.8722 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8101 0.6670 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3017 -0.5610 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4252 -1.5906 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0736 -1.3746 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8234 -1.9114 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2627 -0.8657 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7852 0.9494 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7406 1.4302 -2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2972 1.2123 -2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 -0.1296 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 0.0829 1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0536 1.8061 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5134 1.4643 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3817 -0.6633 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8363 -2.5417 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4170 -2.1888 -0.1799 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