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
   -3.0952    0.3591   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.0323    0.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -0.7510    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206   -1.8950   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -0.1658    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473    1.0784    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766    1.6650    0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    1.0492    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6943   -0.1643   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   -0.7576   -0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141    1.0125   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9405    0.7889    0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3947   -0.5969   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123   -2.3662   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436   -2.4583   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    1.5739    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351    2.6194    1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703    1.4806    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -0.7044   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595   -1.7352   -0.9152 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