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
7.0221 -0.2620 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4459 0.6539 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9981 0.7241 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4168 1.6147 -0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1698 -0.1552 0.5861 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7708 -0.0778 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1208 0.7088 1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.8164 1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0186 0.1496 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -0.6279 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0462 -0.7434 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 0.2543 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0941 0.9636 1.2414 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -0.4233 -0.5434 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5711 -0.3823 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1880 0.5554 -1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5552 0.5976 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3107 -0.3314 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6874 -1.2810 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3214 -1.3024 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0902 -0.3174 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4368 -0.9706 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0393 1.3599 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6811 1.2537 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 1.4498 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1207 -1.1693 -1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 -1.3556 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6162 1.2976 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0214 1.3581 -2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3855 -0.2767 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2857 -2.0194 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8688 -2.0614 0.6464 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