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
   -2.8402   -0.9572    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0465   -0.0065    0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.7729    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4962    1.8537   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807    0.3043    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959    0.9823   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010    0.5219   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.6278    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109   -1.3254    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -0.8571    0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918   -1.4281    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -0.4886   -0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.6970   -0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866    2.4431   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314    2.1465   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188    1.8862   -1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739    1.0808   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -0.9890    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -2.2280    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1753   -1.3870    1.3085 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