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
6.9078 0.6366 0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4696 -0.2211 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0432 -0.4798 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 -1.2922 -1.0197 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1525 0.1978 0.6022 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7854 0.0322 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0822 0.8373 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 0.7124 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0153 -0.2209 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7120 -1.0320 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0924 -0.8970 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 -0.3442 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0402 -1.1986 0.8523 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1802 0.4378 -0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5620 0.3180 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0837 -0.5562 -1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4583 -0.6630 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2941 0.0815 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7701 0.9528 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3974 1.0611 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2203 1.1784 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9578 0.8245 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2173 -0.7456 -0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5273 1.5965 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1192 1.3354 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 -1.7780 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5855 -1.5632 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4506 -1.1601 -2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9169 -1.3299 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3650 -0.0197 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4090 1.5432 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0221 1.7561 0.7418 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