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
6.4084 -0.7123 -2.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3427 -0.6460 -1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 -0.4264 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9291 -0.3562 0.4981 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9088 -0.2895 -1.5000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 -0.0801 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 1.1993 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9039 1.4614 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 0.4124 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4808 -0.8824 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7813 -1.1195 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3069 0.6299 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6761 1.8119 0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1903 -0.4034 0.6489 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4939 -0.1774 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7949 -0.1871 2.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0836 0.0386 2.8904 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0580 0.2753 1.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7484 0.2837 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4562 0.0562 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3491 -0.8725 -3.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 -0.6079 -3.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2341 -0.7521 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8582 2.0329 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 2.4793 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2009 -1.6810 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0524 -2.1532 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0015 -0.3765 3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3738 0.0419 3.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0868 0.4563 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5528 0.4755 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2395 0.0687 -0.8959 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