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
-3.8696 -1.7722 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4076 -0.6267 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0051 -0.2766 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5438 0.9600 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2270 1.3473 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 0.5073 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2879 -0.7077 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0537 -1.1035 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0416 0.8903 0.6577 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 0.5904 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4635 -0.0075 -1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3498 0.9832 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9214 -1.9874 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 -2.5219 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0849 0.0951 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2906 1.6223 -0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1121 2.3229 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9909 -1.4123 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3137 -2.0754 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9380 0.3895 -1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7231 0.7363 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4662 2.0464 -0.5757 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