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
-7.3525 0.3984 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3833 -0.3323 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9887 -0.1545 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6636 0.7297 -0.8904 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0419 -0.9603 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6816 -0.8455 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9471 0.0180 1.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 0.1186 0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 -0.5855 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7424 -1.4382 -0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1010 -1.5744 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4686 -0.4474 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 -1.1199 -1.4094 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 0.3870 0.2533 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 0.5640 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 1.5332 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4677 1.7121 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3390 0.8921 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 -0.0735 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4910 -0.2506 0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3749 0.2603 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0504 1.1598 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6597 -1.0981 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4107 0.6003 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 0.7827 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 -1.9930 -1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 -2.2378 -1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4218 2.1822 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8366 2.4755 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4039 1.0087 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5316 -0.7171 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0736 -0.9945 1.4033 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