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
-4.0091 -0.6449 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.8314 -1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6021 -0.3641 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6606 0.3035 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5031 0.7415 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7366 0.5126 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.1576 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3587 -0.6000 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9109 0.9242 0.6369 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 0.1171 1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1558 -1.0043 1.8108 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8568 0.6629 2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1770 -0.1361 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8578 -1.0107 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6858 -1.3603 -2.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6200 0.5205 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5964 1.2674 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7538 -0.3410 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2918 -1.1228 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 1.2383 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5329 1.4102 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4886 -0.1251 2.5506 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