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
6.8440 -1.5638 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1593 -0.9625 1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7389 -0.7303 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0580 -0.1564 2.4209 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 -1.1287 0.3896 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6652 -0.8893 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 -1.8508 0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4303 -1.6061 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0629 -0.4556 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8372 0.4927 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 0.2681 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4851 -0.1725 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3367 -1.0077 0.2978 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9679 0.9941 -0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3230 1.2744 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9910 0.8959 -1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3359 1.1504 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0587 1.8045 -1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3921 2.1869 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0479 1.9282 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3467 -1.8847 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9195 -1.7316 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6406 -0.6344 2.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1757 -2.7521 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2577 -2.3493 0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5014 1.4232 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8865 1.0020 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4701 0.3792 -2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8692 0.8528 -3.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1107 2.0017 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9350 2.7013 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5626 2.2390 1.0747 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