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
    3.5535    0.0975    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    0.5199   -0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388    0.3859   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    0.8034   -1.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874    0.6684   -1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122    0.1137   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308   -0.3012    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7581   -0.1610    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507   -0.0085   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766   -0.5186    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1338    0.5573    1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.0062    0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    0.4755    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    1.2321   -2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829    1.0013   -2.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270   -0.7367    1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.4877    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370    0.3245   -1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -0.8856    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5807   -0.6074    0.7340 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