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
    3.4605   -0.8857   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459   -1.3914   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -0.4885   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    0.8298    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613    1.6602    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    1.2114    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979   -0.0965    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -0.9238   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569   -0.6200   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.0812    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -0.6653    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -1.6236   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5208    0.0211   -0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    1.2133    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    2.6971    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848    1.9005    0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -1.9636   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7786   -1.6850   -0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156    1.1207    0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7047   -0.3919   -0.0184 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