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
    3.0375    1.0341   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    0.6288    0.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -0.4315    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702   -1.5316   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654   -0.1922    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -1.1658   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015   -0.9499   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    0.2639    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665    1.2721    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143    1.0029    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992    0.2243   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459    1.3513   -1.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470    1.8733    0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -2.3784   -0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -1.5761   -0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -2.1066   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472   -1.7462   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438    0.4522    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    2.2028    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2534    1.7724    0.8839 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