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
7.0997 0.7262 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4283 0.0493 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9855 0.1995 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4159 0.9682 -1.3497 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1880 -0.4644 0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8058 -0.3055 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2749 0.6912 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9189 0.9071 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0586 0.1107 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 -0.8839 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9316 -1.0866 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 0.3198 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8791 1.2104 1.3852 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2434 -0.4818 -0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6178 -0.3566 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3315 -1.0774 0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7060 -0.9904 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4043 -0.1850 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6876 0.5338 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3134 0.4535 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1715 0.6153 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5845 1.3816 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9693 -0.6076 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9241 1.3212 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 1.6764 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -1.5393 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3359 -1.8596 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7838 -1.7269 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2293 -1.5697 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5027 -0.1091 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2157 1.1735 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7505 1.0315 -1.6681 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