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
   -3.2013    0.4881    0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    0.5279   -0.0862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -0.4674   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3797   -1.7150   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755   -0.1077   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326    1.2465   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491    1.6336   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    0.7229   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605   -0.6042   -0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254   -0.9873   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192    0.3662    1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7930   -0.3796    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    1.4365    0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576   -1.9416    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -2.5808   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554    1.9983   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    2.6981   -0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957    1.0809   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5318   -1.3595   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1673   -2.0559   -0.1123 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