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
4.2472 -0.4548 5.7342 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7848 0.5823 5.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 0.4224 3.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5313 -0.7505 3.6645 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 1.5054 3.2940 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 1.2142 2.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 1.0139 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0054 0.7212 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 0.6327 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.8316 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 1.1229 2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2874 0.3298 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5197 0.2409 -0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 0.1302 -2.1325 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7086 -0.1616 -3.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2859 0.8241 -3.9345 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1428 0.4789 -4.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4389 -0.8611 -5.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -1.8469 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9898 -1.5066 -3.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9550 -1.4432 5.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9274 -0.3402 6.5549 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0771 1.5713 5.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 1.0834 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4178 0.5760 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8334 0.7605 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2171 1.2802 3.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0811 1.8630 -3.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6087 1.2467 -5.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1086 -1.1536 -6.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0591 -2.9057 -4.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5336 -2.2690 -2.8277 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