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
   -2.3774   -0.9073    1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    0.3162    1.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    0.5052   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    0.8330   -1.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747    0.3201   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    0.4693   -1.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1887    0.2825   -1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634   -0.0653   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -0.2214    0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   -0.0348    0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150   -0.8867    2.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -1.7593    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029   -1.0960    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6787    0.9815   -1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068    0.9673   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2381    0.7399   -2.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557    0.4098   -2.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0248   -0.2020   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893   -0.4949    1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.1571    1.8234 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