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
-4.2310 0.7834 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 -0.0297 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0266 0.0724 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2410 -0.8180 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1271 -0.7621 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8186 0.1822 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0644 1.0628 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 1.0110 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 0.2158 0.4013 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9626 -0.5151 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3587 -1.1923 -1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4541 -0.5002 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3181 0.6879 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8045 1.5639 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9064 -0.8260 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 -1.5754 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7226 -1.4634 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 1.8106 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8570 1.7502 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8510 0.2311 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8672 -0.2071 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8891 -1.4819 -0.2573 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