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
7.1287 -0.5616 1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3025 -1.0064 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9144 -0.5777 0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4956 0.2138 1.5855 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0500 -1.0473 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6961 -0.6875 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3476 0.4165 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0151 0.8031 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0592 0.0718 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4183 -1.0317 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 -1.4165 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3270 0.4933 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6906 1.4800 -1.1877 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 -0.2442 0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6499 0.1347 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1240 1.0100 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4253 1.4258 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2804 0.9623 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8209 0.0831 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5124 -0.3249 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1534 -0.8687 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7890 0.1142 2.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6645 -1.6876 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1126 0.9785 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 1.6796 -1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 -1.6142 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0750 -2.2763 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 1.3755 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7906 2.1265 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3286 1.2651 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5268 -0.2754 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1534 -1.0139 -1.6417 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