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
7.0102 -0.1249 -1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4991 -0.3327 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0613 -0.2209 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6036 -0.4279 1.4929 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1569 0.1073 -0.6516 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7938 0.2213 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0044 -0.8906 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6190 -0.8093 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0368 0.3976 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 1.5083 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1871 1.4048 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4157 0.4602 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9167 1.5532 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 -0.6464 -0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5979 -0.5505 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1523 -0.7754 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5141 -0.6797 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3807 -0.3604 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8331 -0.1299 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4634 -0.2291 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3293 0.1377 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0693 -0.2046 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1616 -0.5923 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 -1.8505 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0215 -1.6827 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3375 2.4364 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 2.2767 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5447 -1.0314 2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9466 -0.8587 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4434 -0.2819 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4935 0.1265 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0293 -0.0500 -1.8606 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