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
7.2642 0.5755 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4484 -0.0795 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0124 0.1432 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5473 0.9474 0.9621 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0905 -0.5108 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 -0.3121 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9784 -1.0968 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.9248 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0237 0.0607 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7102 0.8584 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0849 0.6549 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4580 0.2778 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0684 1.1523 -0.9382 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -0.5232 0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 -0.3458 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1083 0.5158 1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4776 0.6826 1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3467 0.0010 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8100 -0.8693 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4399 -1.0433 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8885 1.2692 1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3421 0.4614 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8824 -0.7612 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4181 -1.8750 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0213 -1.5610 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1835 1.6135 -1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 1.2663 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4353 1.0567 2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9013 1.3663 2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4306 0.1277 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5035 -1.3992 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0917 -1.7286 -0.8759 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