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
7.0202 0.4178 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4680 0.0051 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0312 0.0034 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5099 -0.3946 1.4145 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1398 0.4348 -0.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7686 0.4335 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0007 -0.6506 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 -0.6256 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0340 0.4746 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7907 1.5731 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 1.5425 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4140 0.4589 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 1.4809 0.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2070 -0.6218 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5782 -0.6451 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3802 -0.2115 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7692 -0.2266 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3447 -0.6732 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5458 -1.1092 1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1770 -1.0832 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0817 0.4249 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3829 0.7652 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0940 -0.3407 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 -1.5389 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0353 -1.4835 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 2.4577 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7290 2.4239 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9662 0.1444 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3527 0.1203 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4248 -0.6771 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0233 -1.4551 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5576 -1.4244 1.8823 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