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
7.1450 1.6114 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4532 0.6347 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0139 0.6149 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4499 1.5356 -0.7899 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2008 -0.3701 0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8230 -0.3883 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9872 0.2090 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6027 0.1906 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0563 -0.4580 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 -1.0731 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2722 -1.0396 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 -0.5221 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8904 -1.1212 -1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2913 0.0711 0.6196 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6582 -0.0060 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3829 0.9099 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7515 0.7538 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3968 -0.3280 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6975 -1.2644 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3398 -1.0734 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2213 1.6896 -0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6380 2.3933 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0061 -0.1342 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.7172 1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 0.6645 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4735 -1.5915 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 -1.5345 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8445 1.7464 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3043 1.5030 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4774 -0.4046 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2129 -2.1190 1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7817 -1.8169 1.5234 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