Monomers
4-Methoxystyrene
Identifiers
IUPAC name
1-ethenyl-4-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
InchI Key
UAJRSHJHFRVGMG-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)C=C
Canonical SMILES
COC1=CC=C(C=C1)C=C
Isomeric SMILES
COC1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.3382
H Bond Acceptors
1
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
20 20 0 0 0 0 0 0 0 0999 V2000
-3.5548 0.3726 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6961 -0.7223 -0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -0.5553 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8051 0.7161 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5811 0.8408 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -0.2685 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8490 -1.5584 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 -1.6768 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8401 -0.1864 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4639 0.9689 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2826 1.0972 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4166 0.8226 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5931 0.0317 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4204 1.6027 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 1.8574 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5098 -2.4098 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 -2.6819 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4466 -1.1082 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9199 1.8854 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5624 0.9723 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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 2 3
8 3 1 0
1 11 1 0
1 12 1 0
1 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers