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
    2.1795    0.9938    1.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460    1.5413    1.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522    1.2616   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    2.0172   -0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185    0.1244   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742   -0.2509   -1.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6095   -1.3546   -1.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112   -2.1141   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -1.7565    0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425   -0.6643    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0441   -0.1202    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3086    1.2148    2.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    1.3533    1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215    1.8928   -2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6151    2.8605   -0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752    0.3270   -2.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -1.6294   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574   -2.9702   -0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8845   -2.3549    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3845   -0.3716    1.8034 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