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
-7.0276 -0.4496 1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1809 -1.4013 1.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7595 -1.3399 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9734 -2.2807 1.2724 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2039 -0.2517 0.3385 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8408 -0.1993 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9691 0.3507 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 0.4443 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -0.0198 -0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9912 -0.5663 -1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3445 -0.6558 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 0.0567 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7736 -0.3665 -1.9033 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2067 0.6011 0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5768 0.6886 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1202 1.7953 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4510 1.9184 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2797 0.8755 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8052 -0.2470 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4517 -0.3306 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0557 -0.5478 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7121 0.4415 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5308 -2.2828 1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3391 0.7288 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0428 0.8835 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 -0.9215 -2.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 -1.0833 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4691 2.6087 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8299 2.7994 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3414 1.0024 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4909 -1.0525 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0258 -1.1985 0.6584 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