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
7.0427 -0.4428 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3026 0.2099 1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 0.4014 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2110 1.0321 1.8099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2110 -0.0834 -0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8471 0.1477 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2895 1.2330 -0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9005 1.3883 -0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0590 0.4440 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6379 -0.6483 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 -0.8019 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4016 0.5781 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9423 1.5527 -1.0189 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 -0.4034 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5583 -0.4043 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2385 -0.9934 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6061 -1.0385 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3366 -0.4737 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6768 0.1147 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3074 0.1525 1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1001 -0.5991 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5566 -0.8320 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7978 0.5966 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9404 1.9764 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4622 2.2525 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0094 -1.4003 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3728 -1.6903 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6987 -1.4569 -1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1567 -1.5016 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4380 -0.5099 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2263 0.5632 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8152 0.6368 1.9594 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