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
6.9081 0.0608 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4019 -0.5357 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0010 -0.4417 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5402 -1.0246 -0.5611 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0785 0.3041 1.1963 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7505 0.3768 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2692 1.3459 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9450 1.4143 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0547 0.4817 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5266 -0.4854 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8617 -0.5581 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 0.5322 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7754 1.4313 -1.0961 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2856 -0.3826 0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 -0.3353 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0084 -1.0367 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3114 -1.0434 -1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2497 -0.3358 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9229 0.3809 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 0.3571 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2667 0.6542 2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9485 -0.0380 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0532 -1.1290 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 2.0700 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5853 2.1800 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1799 -1.2180 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1950 -1.3420 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2676 -1.5860 -1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5455 -1.6108 -2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2794 -0.3369 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6511 0.9460 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3079 0.9045 1.3352 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