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
7.1398 -0.3311 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3895 -0.2405 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9508 -0.2708 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4073 -0.3877 1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1305 -0.1769 -1.1474 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 -0.2177 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9917 0.9100 -0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6269 0.7843 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0284 -0.4214 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7405 -1.5537 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1000 -1.4306 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4697 -0.4934 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -1.5897 -0.3727 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1654 0.6777 -0.1517 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5414 0.6507 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1032 0.5300 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4733 0.5052 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3408 0.5997 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7695 0.7201 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4022 0.7461 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2119 -0.3093 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6959 -0.4310 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8786 -0.1410 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4816 1.8816 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0978 1.7319 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2357 -2.5081 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7135 -2.3204 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4309 0.4549 2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9133 0.4101 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4180 0.5823 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4384 0.7963 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9655 0.8423 -2.0314 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