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
-7.2390 -0.0602 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4220 -0.0744 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9922 -0.1823 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5244 -0.2641 0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0892 -0.2015 -1.2506 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 -0.3059 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9414 0.8434 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5980 0.7608 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 -0.4740 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6902 -1.6154 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 -1.5093 -1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4810 -0.4589 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0862 -1.5533 -0.4464 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2145 0.7043 -0.3548 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5751 0.6322 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4125 0.6348 -1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7648 0.5622 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3312 0.4854 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 0.4859 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 0.5580 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3091 0.0197 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8530 -0.1299 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8488 -0.0025 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4620 1.7950 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 1.6749 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 -2.5734 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6605 -2.4124 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0104 0.6934 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4844 0.5605 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3890 0.4290 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8619 0.4266 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4790 0.5516 1.9917 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