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
    3.5770    0.3540    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3439    0.8833    0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    0.2921    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200   -0.8314   -0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523   -1.4399   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569   -0.8864   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    0.2363    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603    0.8102    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989    0.8498    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6716    0.3613    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728   -0.7541    0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585    0.5446   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659    0.8427    0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658   -1.2542   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0675   -2.3375   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1596   -1.3942   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422    1.7075    1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4432    1.7279    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6097    0.8035    0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8023   -0.5156   -0.3045 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