Monomers
4-Acetoxystyrene
Identifiers
IUPAC name
(4-ethenylphenyl) acetate
InchI
InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3
InchI Key
JAMNSIXSLVPNLC-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)OC(=O)C
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)OC1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.2549
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
-4.2119 0.6353 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 -0.3423 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0191 -0.2313 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 -1.3237 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -1.2269 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 -0.0828 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0373 1.0072 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 0.9239 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0980 0.1144 0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 -0.0675 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6806 -0.4626 -1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5355 0.1651 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8283 1.6183 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2795 0.4547 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9213 -1.3067 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8167 -2.2583 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5758 -2.0907 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4770 1.9713 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8560 1.7997 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8147 1.1962 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7124 0.0032 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1696 -0.4963 -0.7628 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
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
8 3 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
12 20 1 0
12 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers