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
7.0333 -0.4905 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4517 0.6549 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9900 0.7590 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4289 1.8566 0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 -0.3192 -0.1674 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 -0.2441 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0482 -0.4799 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6510 -0.4008 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0128 -0.0859 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7588 0.1496 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 0.0652 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 -0.0159 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0039 0.2751 -1.4258 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2071 -0.2495 0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5835 -0.1500 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3639 -1.2497 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7245 -1.1621 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3521 0.0395 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5925 1.1236 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2157 1.0587 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4426 -1.3526 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0982 -0.5728 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0730 1.5139 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5576 -0.7261 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1042 -0.5934 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2591 0.3950 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7013 0.2508 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8269 -2.1880 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3149 -2.0160 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4051 0.1239 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0782 2.0932 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6360 1.9377 1.1426 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