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
7.0980 -0.1663 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3848 0.9327 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 0.9190 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2606 1.9883 -0.3283 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2075 -0.2732 -0.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8188 -0.2601 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0742 -0.2103 0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -0.1977 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 -0.2359 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.2858 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.2977 -1.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -0.2243 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0115 -0.2584 -1.5488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -0.1746 0.6923 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 -0.1632 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2245 1.0766 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6041 1.1106 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3632 -0.0314 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6988 -1.2429 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3351 -1.3215 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 -1.1156 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1622 -0.1100 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8812 1.8869 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6241 -0.1818 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 -0.1586 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 -0.3168 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7561 -0.3361 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6957 2.0068 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1367 2.0665 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4450 0.0013 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2660 -2.1613 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8474 -2.2651 0.6906 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