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
7.1065 -0.2050 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3610 -1.2014 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9140 -1.1227 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2450 -2.0910 0.4378 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2031 0.0297 -0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8048 0.0915 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 -0.2502 -1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5962 -0.1546 -0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0918 0.2822 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9575 0.6290 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 0.5276 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3353 0.3928 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7783 0.7920 1.5729 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2901 0.0668 -0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 0.1806 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3591 1.3420 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 1.4438 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3706 0.3630 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6710 -0.8162 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3221 -0.8850 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6346 0.7240 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1795 -0.2502 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8637 -2.1161 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -0.5948 -2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0818 -0.4361 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6063 0.9809 2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9818 0.8048 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8625 2.1952 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2907 2.3359 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4302 0.4122 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2216 -1.6497 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 -1.8210 0.5268 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