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
7.0669 0.3268 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3422 1.2249 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9115 1.0564 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2105 1.9270 0.6404 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 -0.0516 -0.4529 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8414 -0.1542 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 -0.7674 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9605 -0.8385 0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 -0.3230 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5991 0.2805 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 0.3709 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 -0.4413 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7906 -1.0106 1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2893 0.0497 -0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6567 -0.0953 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3354 0.8740 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6826 0.7756 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3520 -0.3424 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6827 -1.3095 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3429 -1.2032 -0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6346 -0.5773 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1342 0.4372 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8144 2.1011 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0130 -1.1679 1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -1.3290 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0922 0.6868 -1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3849 0.8556 -2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7885 1.7499 0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1977 1.5463 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3999 -0.4783 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2311 -2.1915 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8638 -1.9818 -1.3070 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