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
7.1258 -1.5004 -0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4478 -0.5449 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9871 -0.5227 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3831 -1.4197 -1.0406 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 0.4488 0.2028 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8177 0.4537 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0113 -0.1751 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6204 -0.1552 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 0.5182 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 1.1572 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 1.1302 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 0.5479 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9853 1.1608 -1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2467 -0.0928 0.6535 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 -0.0701 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3465 -1.0067 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7250 -0.9043 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3654 0.1363 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6521 1.0823 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2838 0.9678 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6210 -2.2910 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 -1.5172 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9883 0.2111 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4529 -0.7141 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 -0.6787 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3665 1.6886 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8682 1.6293 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8058 -1.8092 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3101 -1.6214 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4504 0.2600 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1868 1.8998 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7528 1.7312 1.7424 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