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
-7.0849 0.3037 -1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3769 -0.2488 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9509 0.0280 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3988 0.8015 -1.3661 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1520 -0.5123 0.4429 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7824 -0.2305 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2901 0.8200 1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9284 1.0267 1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 0.2191 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 -0.8268 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 -1.0701 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4004 0.4288 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8793 1.3737 1.3332 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2272 -0.4322 -0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6009 -0.3085 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2016 0.4576 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5828 0.5744 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3655 -0.0638 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7712 -0.8350 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3899 -0.9417 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1308 0.1279 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6086 0.9745 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8820 -0.9019 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9934 1.4468 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5195 1.8623 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1032 -1.4762 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 -1.8976 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6673 0.9865 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0806 1.1773 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4387 0.0424 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 -1.3541 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9046 -1.5519 1.6413 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