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
7.0920 0.1089 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3490 1.1313 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8945 1.0872 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1835 2.0619 0.4022 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1922 -0.0695 -0.3173 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 -0.0866 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1558 0.3002 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 0.3035 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0277 -0.0668 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6876 -0.4490 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0751 -0.4698 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4255 -0.0461 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 0.3026 -1.5691 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 -0.4212 0.5693 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5573 -0.3996 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2056 -1.5397 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5865 -1.5875 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3105 -0.4678 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6576 0.6724 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2844 0.7229 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 -0.8216 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1628 0.1738 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8308 2.0451 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 0.6036 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 0.6062 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0746 -0.7392 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5886 -0.7674 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 -2.4351 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1145 -2.4621 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3802 -0.4773 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2445 1.5439 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8444 1.6430 1.1407 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