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
-7.0948 0.1762 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4130 -0.9274 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9515 -0.9603 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3103 -2.0282 -0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2082 0.1710 -0.3136 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8248 0.1699 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3044 -0.0850 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9396 -0.1059 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 0.1227 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 0.3737 -1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.3987 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3990 0.1035 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8067 -0.1325 1.6086 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 0.3269 -0.5575 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6662 0.2805 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3217 1.4081 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6609 1.3554 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3639 0.1691 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7014 -0.9717 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3643 -0.9114 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1583 0.1762 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5412 1.0893 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9266 -1.8450 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 -0.2699 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5347 -0.3076 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0612 0.5572 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 0.5973 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8147 2.3440 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2030 2.2421 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4133 0.1725 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2662 -1.8759 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8500 -1.8134 -0.6279 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