Monomers

1-Methoxy-3-vinylbenzene

Identifiers

IUPAC name
1-ethenyl-3-methoxybenzene
InchI
InChI=1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3
InchI Key
PECUPOXPPBBFLU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C=C
Canonical SMILES
COC1=CC=CC(=C1)C=C
Isomeric SMILES
COC1=CC=CC(=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
    3.3156   -0.6758   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -1.1749   -0.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -0.2572   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    1.0767    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    1.9908    0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    1.5219    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3909    0.1902    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654   -0.6831   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714   -0.2471    0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395   -1.4893    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -1.5622   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -0.0659    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -0.1115   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402    1.4472    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    3.0489    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761    2.2684    0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -1.7375   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736    0.4910    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813   -1.7554    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384   -2.2752   -0.1206 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
  7  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
  6 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