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
    3.6723    0.4608   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   -0.0231    0.5388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596   -0.0381    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -0.5395    1.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -0.5626    1.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362   -0.0875   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507    0.4191   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128    0.4460   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8524   -0.0617   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7369   -0.5230    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3434    1.3879   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9587   -0.2987   -1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    0.7469    0.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078   -0.9333    2.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287   -0.9704    1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771    0.8074   -1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    0.8495   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2091    0.3452   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8066   -0.5027    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180   -0.9224    1.4145 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