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
   -3.6087    0.3122    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4808   -0.1914    0.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825    0.0168    0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9565    0.7412   -0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513    0.9281   -1.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165    0.3947   -0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259   -0.3346    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -0.4985    0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218   -0.9190    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786   -0.8230    1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5100    0.0322    0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4997    1.3973    0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6738   -0.1251   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    1.1472   -1.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355    1.4882   -2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.5465   -0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -1.0683    1.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -1.4755    2.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.2880    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8856   -0.2810    0.1631 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