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
7.0589 -0.7929 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3097 -0.4228 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8749 -0.2091 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1669 0.1438 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1925 -0.3839 -0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7984 -0.1651 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3531 1.0998 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0009 1.3256 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1099 0.3043 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5738 -0.9750 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9286 -1.1916 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3206 0.5548 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7156 1.7127 0.5512 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2701 -0.4271 0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6199 -0.1720 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2801 -0.3240 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6444 -0.0740 1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3442 0.3335 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7023 0.4916 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3417 0.2350 -0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1100 -0.9561 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5620 -0.9363 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7755 -0.2716 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0401 1.9098 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5900 2.3175 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1288 -1.7967 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -2.1791 -0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7651 -0.6427 2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1618 -0.1920 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4108 0.5251 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2740 0.8095 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8079 0.3490 -1.9090 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