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
-4.0205 -1.1907 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3350 -0.4885 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9497 -0.1178 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3112 0.6369 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0040 0.9973 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6759 0.6145 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0526 -0.1284 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 -0.5027 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9892 0.9704 0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9615 0.1008 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6203 -0.9610 -0.8172 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3893 0.4814 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0736 -1.4672 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6012 -1.5494 1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8209 -0.1379 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 0.9462 -2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5177 1.6041 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -0.4626 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 -1.0826 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5905 1.5081 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0477 -0.1980 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5880 0.4272 1.0385 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