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
   -2.6872    1.2954   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   -0.0361   -0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864   -0.4935   -0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -1.0448   -1.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302   -0.3820   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953   -0.8060   -0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236   -0.6536    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   -0.0643    1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264    0.3575    1.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059    0.2162    1.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118    1.6168   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    2.0280    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    1.3826    0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4317   -1.4350   -2.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2432   -1.1385   -2.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -1.2699   -1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392   -1.0067   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    0.0430    1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5786    0.8227    2.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5946    0.5680    1.6765 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