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
-4.2941 -0.2835 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 0.6109 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9621 0.4192 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 1.4379 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2588 1.2701 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8073 0.0778 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0585 -0.9152 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4417 -0.7584 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 0.0234 -0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.4146 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 -0.7597 1.5255 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4869 -0.4628 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0125 -1.2508 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3385 -0.0722 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7591 1.5790 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 2.3935 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9192 2.0966 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 -1.8454 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 -1.5995 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 0.2832 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9292 -0.3265 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 -1.5029 0.0261 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