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
7.0222 -0.3767 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4259 0.2938 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9888 0.2499 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4415 0.8967 1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2261 -0.5384 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 -0.5744 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0614 0.3617 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7021 0.3376 -0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0518 -0.5668 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8497 -1.4894 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2317 -1.4928 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3934 -0.5835 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9112 -1.4449 1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2464 0.3088 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6259 0.3012 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1873 1.0461 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5735 1.0632 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4065 0.3407 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8667 -0.4205 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -0.4125 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4402 -0.9829 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0833 -0.3291 -0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0143 0.8931 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5620 1.0861 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 1.0747 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 -2.2446 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 -2.2247 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5285 1.6201 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0050 1.6567 1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4826 0.3039 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5045 -1.0008 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0919 -1.0029 -1.7715 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