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
-6.9886 1.3344 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3244 0.2478 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8784 0.2975 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2957 1.3943 0.4269 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1162 -0.8100 -0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7404 -0.6495 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9614 -0.8361 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6004 -0.6693 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 -0.3361 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8468 -0.1576 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2027 -0.3121 -1.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 -0.1697 -0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 0.1405 -1.6345 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1958 -0.3521 0.5836 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5622 -0.1876 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3517 -1.2661 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7133 -1.1153 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2594 0.1277 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5067 1.2307 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1343 1.0560 0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4747 2.2602 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0533 1.2785 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8353 -0.7120 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4066 -1.1040 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0095 -0.8205 1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 0.1079 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8749 -0.1801 -2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8776 -2.2200 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3446 -1.9390 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3215 0.2511 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9516 2.1987 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5116 1.9119 0.9173 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