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
6.9207 -1.2688 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3158 -0.3065 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8920 -0.3429 -0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2333 -1.3153 -1.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2115 0.6768 0.0271 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 0.5313 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3508 -0.1282 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -0.2575 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1096 0.2398 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6551 0.8968 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0138 1.0483 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 0.0525 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7558 -0.5499 1.6627 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2752 0.5217 -0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6291 0.3206 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3335 1.2670 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6929 1.1135 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3390 -0.0167 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6610 -0.9790 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3221 -0.7829 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3610 -2.0964 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9788 -1.2330 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8939 0.5368 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -0.5221 2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 -0.7754 2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 1.2798 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 1.5568 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8512 2.1575 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2084 1.8838 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4104 -0.1356 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2102 -1.8434 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7937 -1.5296 -1.0047 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