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
7.0786 -0.7084 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4019 0.2287 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9595 0.3671 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3833 1.2710 1.5009 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1770 -0.4508 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7841 -0.2975 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9246 -0.9540 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -0.7449 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0574 0.0801 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9363 0.7263 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 0.5384 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 0.2912 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7884 1.0581 -1.3965 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3097 -0.3404 0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6488 -0.0715 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4003 -0.8465 -0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7271 -0.5858 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3115 0.4660 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6329 1.2783 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3022 0.9791 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6007 -1.4066 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1434 -0.7602 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9240 0.9213 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3231 -1.6099 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1345 -1.2423 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5835 1.3982 -1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 1.0514 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9093 -1.6687 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3205 -1.1770 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3545 0.6716 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1438 2.0993 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7569 1.6089 1.4083 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