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
7.0207 0.0091 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3901 0.7908 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9311 0.7073 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3607 1.4778 -1.3267 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1525 -0.2012 0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7747 -0.3138 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 0.4572 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6241 0.3808 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0152 -0.4395 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 -1.2023 -1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -1.1588 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4347 -0.4960 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0161 -1.2398 -1.1095 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1848 0.2962 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5619 0.2352 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2705 -0.6848 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6387 -0.7778 1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3140 0.0713 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6039 0.9696 -0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2222 1.0806 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0778 0.0896 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4745 -0.7190 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9564 1.5176 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4026 1.1227 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0240 0.9870 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3634 -1.8420 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8691 -1.7354 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 -1.3323 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2330 -1.4758 1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4055 0.0080 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1288 1.6269 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6941 1.7910 -0.9672 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