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
-3.9711 -1.6136 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4158 -0.5934 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9849 -0.4133 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0548 -1.2849 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3073 -1.0632 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8064 0.0461 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1150 0.9269 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4635 0.7135 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 0.2671 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8494 0.9835 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1602 1.4067 -1.5587 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2982 1.2743 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3423 -2.3780 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0598 -1.6953 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0737 0.1593 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3790 -2.1808 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0197 -1.7600 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 1.7997 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 1.4153 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8329 0.4588 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5500 2.2520 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7223 1.2795 0.4594 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