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
7.1822 -0.4988 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4118 -0.3532 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9573 -0.3465 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4145 -0.4877 -1.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1328 -0.1966 1.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 -0.2038 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0819 -1.3924 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7266 -1.4661 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -0.3099 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 0.8845 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0339 0.9349 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 -0.3841 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 -1.4789 0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 0.7468 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5831 0.6980 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4815 0.8208 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8461 0.7710 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2967 0.5897 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4532 0.4596 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0944 0.5182 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7663 -0.6226 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -0.4986 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8624 -0.2337 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6556 -2.2949 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2436 -2.4287 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 1.7777 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 1.8912 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1030 0.9637 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5545 0.8698 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3688 0.5383 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8491 0.3169 -2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4373 0.4155 -2.1430 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