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
7.1382 0.1334 1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3736 -0.5751 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9759 -0.2237 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5292 0.7487 1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0818 -0.9011 -0.3366 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7482 -0.5651 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3193 0.3208 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9694 0.6646 -1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0409 0.0917 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4979 -0.7993 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8277 -1.1289 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 0.4049 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8434 1.2104 -1.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2483 -0.1934 0.0812 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6023 -0.0004 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4262 -0.8046 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8098 -0.6396 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3362 0.3428 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5428 1.1682 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1509 0.9865 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1887 -0.0825 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7411 0.9658 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 -1.3972 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 0.7801 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 1.3704 -2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2229 -1.2641 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 -1.8261 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0564 -1.5994 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4674 -1.2662 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4087 0.4719 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9504 1.9498 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 1.6567 1.5192 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