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
7.2786 0.9940 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3992 0.1507 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9748 0.2111 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5795 1.0932 0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0574 -0.6793 -0.9824 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6944 -0.6437 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.1243 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5089 0.1477 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.5595 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8835 -1.3195 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2252 -1.3710 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4060 -0.5399 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8490 -1.1953 1.3542 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3456 0.2116 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6892 0.2327 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0847 1.2015 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3921 1.3074 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3026 0.4068 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9145 -0.5767 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5993 -0.6660 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3054 0.9198 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9838 1.7618 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6959 -0.6167 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2502 0.6858 -2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1711 0.7476 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 -1.8860 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9382 -1.9603 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3670 1.9144 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6791 2.0792 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3276 0.5005 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6935 -1.2494 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2942 -1.4268 -1.1965 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