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
   -3.5785   -0.3948    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3089   -0.8888    0.7154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.2836    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    0.8524   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0197    1.4528   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    0.8958   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -0.2307    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -0.7924    0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.8171    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.3636    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8923   -0.6103   -0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554   -0.7879    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512    0.7129    0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    1.2743   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041    2.3454   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0983    1.3796   -0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1614   -1.6834    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -1.7263    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622   -0.8551    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287    0.5208   -0.4494 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