Monomers

Benzene, (1-methoxyethenyl)-

Identifiers

IUPAC name
1-methoxyethenylbenzene
InchI
InChI=1S/C9H10O/c1-8(10-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
SIZDIMDMQQFWLM-UHFFFAOYSA-N
SMILES
COC(=C)c1ccccc1
Canonical SMILES
COC(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=C)C1=CC=CC=C1
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
2.3037
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
   -2.5702    1.2228    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3094   -0.0929    0.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.8057    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268   -2.1405   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1124   -0.2552   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4749    0.9495   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    1.3929   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392    0.5585    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -0.6636    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -1.0893    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    1.4183   -1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    1.5347    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    1.9015    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686   -2.7538   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851   -2.6320   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322    1.6207   -0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    2.3682   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    0.8435    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601   -1.3113    1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504   -2.0667    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers