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
7.2990 0.4224 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4193 -0.2592 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0037 -0.1597 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6032 0.5757 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0275 -0.8563 -1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6776 -0.7587 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 -1.6216 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 -1.5686 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0525 -0.6135 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5036 0.2553 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 0.1761 -1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4668 -0.5360 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 -1.3157 1.0833 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.4325 -0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5886 0.5541 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5655 -0.1225 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9102 0.0219 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2822 0.8683 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3131 1.5502 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9806 1.3808 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9815 1.0618 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3603 0.3816 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7719 -0.8842 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7434 -2.3784 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3138 -2.2423 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 1.0003 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 0.8597 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2464 -0.7769 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6474 -0.5265 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3379 0.9501 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6265 2.1998 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2490 1.9295 1.5240 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