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
-7.0747 0.3274 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -0.0778 -0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9806 -0.2376 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3812 -0.6269 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1763 0.0319 0.6245 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 -0.1289 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 -1.2968 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7764 -1.4046 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0488 -0.3053 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.8652 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 0.9630 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 -0.4025 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9667 -1.4741 0.6014 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1991 0.6663 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5755 0.4965 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2157 0.0625 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5760 -0.1163 -1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3366 0.1569 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7522 0.5934 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3847 0.7589 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5367 0.5633 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1458 0.4502 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9861 -0.3061 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7357 -2.1471 1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 -2.3463 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 1.7142 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 1.8996 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6103 -0.1476 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0575 -0.4576 -2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4095 0.0248 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3947 0.7988 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9129 1.1024 1.8858 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