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
7.0911 -0.2210 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3729 0.8684 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9161 0.8786 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2323 1.9163 -0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2243 -0.2638 -0.0852 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8342 -0.2227 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3049 0.0955 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 0.1437 1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 -0.1242 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5963 -0.4416 -0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 -0.4880 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3890 -0.0841 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9194 0.2001 1.7050 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2264 -0.3585 -0.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5935 -0.3076 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2857 0.8696 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6481 0.9714 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3802 -0.1378 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6978 -1.3276 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3427 -1.4028 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5814 -1.1243 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 -0.2504 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8643 1.7835 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9493 0.3105 2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4913 0.3899 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 -0.6539 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4193 -0.7349 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7132 1.7505 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1526 1.9153 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4516 -0.0625 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3149 -2.1700 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8301 -2.3338 0.2853 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