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
6.9609 -0.5488 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4312 0.5110 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0100 0.5864 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4890 1.5965 -0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1641 -0.4549 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7991 -0.4385 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9969 0.0657 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 0.1021 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0094 -0.3420 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8332 -0.8508 -1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 -0.8905 -1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -0.2859 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 -0.6811 -1.6481 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 0.2300 0.4102 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5482 0.3391 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3521 -0.6694 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7463 -0.5747 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3154 0.5889 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5267 1.6180 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1325 1.4840 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3205 -1.3911 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0077 -0.6419 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0578 1.3403 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4226 0.4380 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0247 0.5030 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -1.2035 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.2860 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9607 -1.5971 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3859 -1.3684 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4006 0.6538 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0211 2.4991 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5555 2.3269 -0.4706 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