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
7.2365 -0.4976 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4411 0.1048 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0092 0.0838 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5427 -0.4988 -1.2727 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1235 0.7038 0.6142 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 0.7040 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0053 -0.3236 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 -0.4007 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 0.5976 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6987 1.6402 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0841 1.6819 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4720 0.5210 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 1.4033 -0.7028 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 -0.5062 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5876 -0.5346 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0795 -1.1942 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4463 -1.2660 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3581 -0.6776 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8556 -0.0218 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4828 0.0498 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8435 -1.0050 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3124 -0.5267 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8748 0.5960 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4692 -1.1251 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0827 -1.2277 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1849 2.4092 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6436 2.4846 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -1.6815 -1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8335 -1.7861 -1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4323 -0.7155 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5501 0.4444 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1001 0.5645 2.0277 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