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
7.1257 -0.1059 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4197 0.7251 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9777 0.6360 -0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3711 1.4627 -1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2150 -0.3200 0.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -0.3826 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0211 0.3187 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6514 0.2942 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0292 -0.4461 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -1.1470 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2103 -1.1260 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4424 -0.4842 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 -1.1565 -1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2413 0.2206 0.6191 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6251 0.2168 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3368 -0.7095 1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7219 -0.7012 1.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3561 0.2499 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6481 1.1937 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2523 1.1730 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1829 -0.0396 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5853 -0.8929 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9419 1.5009 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5065 0.9018 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0608 0.8583 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3080 -1.7262 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8095 -1.6896 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8647 -1.4612 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2644 -1.4514 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4392 0.2384 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1823 1.9257 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6790 1.9240 -0.7632 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