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
7.2331 -0.6653 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4151 0.2578 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 0.1044 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4815 -0.9786 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0917 1.0866 -0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7315 0.8216 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 0.2485 -1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7812 -0.0302 -1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0019 0.2537 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5922 0.8264 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9589 1.1121 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4232 -0.0486 -0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9398 -0.5714 -1.5367 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2564 0.2106 0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6110 -0.0612 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1340 -1.2550 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4956 -1.4625 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3695 -0.4902 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8637 0.7083 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4865 0.9176 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2950 -0.5104 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8455 -1.6046 0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8207 1.2011 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7057 0.0015 -2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 -0.4793 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0462 1.0752 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4454 1.5610 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4491 -2.0122 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8875 -2.4182 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4221 -0.6853 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4912 1.5190 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0841 1.8653 -0.2132 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