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
-7.0121 -0.3251 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4215 -0.0277 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9596 0.1398 -1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3933 0.4214 -2.1251 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2153 -0.0166 0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8388 0.1182 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2480 1.3334 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 1.4520 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0632 0.3672 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6294 -0.8481 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -0.9723 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3988 0.4886 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9254 1.6124 0.5641 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 -0.5734 0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 -0.4980 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2674 -0.7047 1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6649 -0.6136 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3559 -0.3289 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6805 -0.1214 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3029 -0.2141 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0727 -0.4463 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4299 -0.4471 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0137 0.0957 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8681 2.1975 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3803 2.4045 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0058 -1.7189 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5013 -1.9200 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7744 -0.9310 2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2584 -0.7637 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4471 -0.2622 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2053 0.1027 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7799 -0.0494 -1.9419 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