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
   -2.8413   -1.2631    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -0.5006    1.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490    0.4159    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    1.3589   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973    0.2640    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -0.7529    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293   -0.9009    0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094   -0.0717   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    0.9306   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    1.1029   -0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544   -1.8667   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2749   -1.9063    1.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591   -0.5355   -0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    2.1058   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8888    1.4070   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666   -1.4296    1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.7075    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -0.2000   -0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    1.6218   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938    1.9278   -1.2661 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