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
7.0399 -0.2099 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4415 -0.0762 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0062 -0.1580 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4288 -0.0290 1.9816 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1777 -0.3787 -0.2246 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -0.4536 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0193 0.6735 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 0.6247 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0093 -0.5799 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7647 -1.7121 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1507 -1.6469 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 -0.6076 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0657 -1.6872 0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1725 0.5515 0.0773 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5528 0.6411 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3344 0.5060 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7264 0.5916 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3388 0.8193 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5777 0.9577 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1837 0.8680 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1162 -0.1465 -0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4577 -0.3830 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0087 0.0979 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5283 1.6133 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0276 1.5193 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 -2.6673 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7792 -2.5299 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8792 0.3288 -1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3369 0.4835 -1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4174 0.8810 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0718 1.1344 2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5693 0.9744 2.2433 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