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
3.6546 -0.1538 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5372 -0.9601 -0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2359 -0.6148 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8514 0.6059 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5077 0.8541 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4981 -0.0566 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0879 -1.2896 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -1.5422 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9143 0.1652 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3563 1.2873 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1159 -0.3470 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4418 0.9434 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4421 -0.3682 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 1.3290 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.8177 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8453 -2.0435 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5203 -2.5054 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6092 -0.6220 0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6833 2.0774 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4116 1.4231 0.9594 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