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
   -2.9837    0.9149    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9986    0.0569    0.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834   -0.6354   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961   -1.5824   -0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -0.2828    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7351    0.7494    0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556    1.1083    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498    0.4884    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -0.5239   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097   -0.9019   -0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217    1.7708   -0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822    0.3758   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318    1.3205    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5636   -1.8500   -0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.1668   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    1.2355    1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    1.9050    1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822    0.7900    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916   -1.0573   -1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0525   -1.7150   -1.3735 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