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
7.0590 -0.1046 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4087 0.5135 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9614 0.4374 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3612 1.0294 1.6492 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1936 -0.2544 -0.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8144 -0.2887 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9773 0.6353 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 0.5588 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0352 -0.4540 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8671 -1.3979 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -1.2993 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -0.5600 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9609 -1.4571 1.0439 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2075 0.3903 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5970 0.3669 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2398 1.0286 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5940 0.9854 0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3485 0.2841 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6998 -0.3863 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3248 -0.3466 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1382 -0.0651 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5431 -0.6624 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9365 1.0756 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4245 1.4296 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0529 1.2792 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4163 -2.1915 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8492 -2.0644 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 1.5760 1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1392 1.4836 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4145 0.2646 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3129 -0.9293 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8558 -0.8766 -1.8920 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