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
7.0475 -0.8449 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3290 -0.4879 1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8984 -0.1891 1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2487 0.1482 2.3508 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2102 -0.2626 0.1314 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8359 0.0274 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9915 -1.0506 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 -0.8272 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 0.4136 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9750 1.4749 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 1.2829 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 0.6119 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 1.7618 -0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 -0.4019 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6137 -0.2256 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3359 0.0892 1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7114 0.2698 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4051 0.1384 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6946 -0.1761 -1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3227 -0.3531 -1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0970 -1.0622 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5781 -0.9210 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8117 -0.4145 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3341 -2.0532 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 -1.6457 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 2.4677 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0425 2.1083 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8086 0.1956 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2895 0.5169 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4875 0.2816 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2622 -0.2732 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7645 -0.5993 -2.0912 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