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
7.2431 0.4287 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3969 -0.4567 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9686 -0.1727 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5384 0.9165 0.4529 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0468 -1.0866 -0.4522 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -0.7933 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1430 -0.1814 -1.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 0.0945 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -0.2128 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 -0.8216 0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 -1.1161 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4348 0.0724 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9367 0.6368 -1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 -0.2251 0.5961 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6169 0.0996 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1158 1.3179 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4627 1.6280 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2910 0.6624 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8106 -0.5613 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4635 -0.8567 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9102 1.3867 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2950 0.1899 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7480 -1.3953 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7016 0.0959 -2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3583 0.5746 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 -1.0853 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 -1.5948 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 2.0303 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8111 2.5945 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3578 0.8911 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5443 -1.2477 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1305 -1.8125 -0.3651 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