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
    3.1891    0.8697   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905   -0.2416    0.2879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   -0.4849    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   -1.6000    0.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -1.8779    0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -1.0108    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    0.1034   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919    0.3778   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371    1.0305   -1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243    0.8763   -1.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5812    1.7594   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    1.0165    0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    0.6784   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -2.2673    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -2.7709    1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336   -1.2698    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7948    1.2626   -0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    1.9109   -1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6068    0.0385   -0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    1.5990   -1.8600 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