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
7.1304 0.1160 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4113 -0.9774 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9539 -0.9790 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3218 -2.0561 0.3389 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2155 0.1832 0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8168 0.1864 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2778 0.0824 -1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8947 0.0799 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 0.1792 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6615 0.2806 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0165 0.2860 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 0.1723 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8445 0.0772 -1.6163 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 0.2672 0.5741 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6593 0.2566 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3583 -0.9335 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7195 -0.9971 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4353 0.1672 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7321 1.3549 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3733 1.4094 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6864 1.0919 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2001 0.0523 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9086 -1.9426 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 0.0021 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -0.0035 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 0.3594 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4182 0.3669 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7951 -1.8426 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2535 -1.9460 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5004 0.1057 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2839 2.2583 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8227 2.3430 0.1232 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