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
-3.6440 -0.1185 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7368 0.0875 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 0.0590 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9020 -0.1667 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 -0.1917 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3969 0.0002 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9189 0.2234 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4363 0.2521 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 -0.0340 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7468 0.1459 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3750 -1.0592 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6404 0.7298 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6750 -0.2667 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6251 -0.3199 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.3699 -2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5763 0.3818 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7839 0.4278 2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.2173 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8055 0.1059 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5495 0.3307 1.6349 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