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
    3.2366    1.0969   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573    1.2299   -0.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    0.2432   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898   -1.0724    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356   -2.0230    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9872   -1.6680    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -0.3360    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926    0.5969   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895   -0.0204    0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1993    1.2011    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432    1.4014    0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    1.7973   -1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    0.0950   -0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343   -1.3365    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098   -3.0711    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599   -2.3960    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    1.6414   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939   -0.8266    0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720    1.4095    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819    2.0374   -0.0837 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