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
7.3415 0.5657 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4622 -0.4017 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0295 -0.1864 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6337 0.9721 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0784 -1.1787 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7187 -0.9320 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1319 -1.0593 1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7889 -0.8226 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0383 -0.4457 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5460 -0.3198 -0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9006 -0.5605 -0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4461 -0.2102 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9245 -0.3409 1.8029 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2751 0.1614 -0.3759 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6267 0.4070 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1437 1.6465 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5119 1.8589 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3778 0.8092 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8893 -0.4428 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5118 -0.6324 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0620 1.5819 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3910 0.3536 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8038 -1.3940 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7338 -1.3491 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 -0.9329 2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0731 -0.0289 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3663 -0.4616 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4985 2.4864 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8658 2.8397 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4616 0.9492 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5421 -1.3014 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1667 -1.6306 -0.6333 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