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
6.9729 0.3264 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2506 1.0248 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8201 0.7913 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1179 1.4452 1.6396 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2022 -0.1389 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8379 -0.3068 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 -1.2160 0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9056 -1.3617 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0777 -0.5917 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6535 0.3153 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 0.4742 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 -0.7073 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9585 -1.5071 1.1269 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1552 0.0927 -0.4325 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5273 0.0703 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2179 0.9021 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5834 0.9699 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3069 0.1464 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6597 -0.7037 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2806 -0.7340 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5174 -0.4046 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0454 0.4601 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7193 1.7464 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9634 -1.8132 1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4572 -2.0737 1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 0.9234 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4574 1.1968 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6585 1.5608 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1210 1.6301 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3838 0.2044 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2716 -1.3272 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7877 -1.3946 -1.9645 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