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
Resources
cid=

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
    3.5515   -0.0338   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.9646   -0.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745   -0.6288   -0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3845   -1.5337   -1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594   -1.2758   -1.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -0.1053   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358    0.7957    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459    0.5534    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8444    0.1273   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3554    1.2124    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3224    0.1120    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    0.9169   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -0.4341   -0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370   -2.4791   -1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812   -2.0121   -1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387    1.7424    0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5516    1.2568    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -0.6159   -0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235    1.3666    0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776    1.9997    0.4886 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