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
7.1074 -0.1196 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4293 0.3497 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9788 0.4468 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3746 0.8951 1.7825 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2138 0.0642 -0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8189 0.1591 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0707 -0.9004 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 -0.8644 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 0.2805 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 1.3225 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 1.2972 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4046 0.3622 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9507 1.4109 -0.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2181 -0.6718 0.0775 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6041 -0.5657 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3294 -0.9518 -1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7057 -0.8531 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4177 -0.3609 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7043 0.0288 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3288 -0.0727 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1775 -0.2016 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5830 -0.4416 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9704 0.6629 1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 -1.8001 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0779 -1.6854 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 2.2284 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7928 2.1285 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7678 -1.3401 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2635 -1.1655 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5013 -0.2920 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2688 0.4132 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7625 0.2367 2.0139 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