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
   -2.3598    1.4477   -1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614    0.0756   -0.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -0.5288   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -1.8646    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464   -2.4441    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764   -1.6837    0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   -0.3348    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758    0.2406   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    0.4378    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    1.7116    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975    2.0082   -0.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375    1.7641   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663    1.6611   -2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -2.4755   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -3.5142    0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -2.1380    1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    1.2828   -0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270   -0.0918    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405    2.2601   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3224    2.1859    0.5737 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