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
6.9193 2.4385 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2330 1.6145 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8522 1.2594 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3226 1.7707 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1124 0.3958 0.8577 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7979 0.0392 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7700 0.7830 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 0.4357 0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1208 -0.6396 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1610 -1.3971 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4770 -1.0656 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2657 -0.9882 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6235 -1.9494 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2522 -0.1937 0.3825 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 -0.4264 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2761 -1.2437 1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6350 -1.5282 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3181 -0.9566 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6694 -0.1364 -0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3190 0.1427 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4704 2.8755 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9296 2.6806 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6996 1.1824 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9618 1.6384 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 1.0448 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 -2.2384 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2840 -1.6538 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6938 -1.6726 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1205 -2.1642 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3679 -1.1501 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2032 0.3206 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7853 0.7822 -1.5385 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