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
7.1520 1.0756 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 0.0976 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9693 0.1282 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4156 1.1186 0.8561 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1661 -0.8913 -0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7877 -0.7923 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9768 -0.2079 -0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6233 -0.1043 -0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0073 -0.6009 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 -1.1902 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1381 -1.2832 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 -0.5149 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 -0.9597 1.4384 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 0.0771 -0.5612 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5718 0.2165 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1115 1.3488 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4955 1.5379 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3456 0.5542 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8063 -0.5814 -0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4200 -0.7472 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2245 1.0231 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7237 1.9439 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8759 -0.7699 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4834 0.1739 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0070 0.3515 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2604 -1.5703 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 -1.7444 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4999 2.1398 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9305 2.4247 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4133 0.7335 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4795 -1.3284 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0287 -1.6584 -1.4631 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