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
   -2.7704   -0.6133    0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0571    0.5737    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    0.7155   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.2453   -1.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    0.2994   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829   -0.2652    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9525   -0.6809    1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -0.5424    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534   -0.0009   -0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    0.4169   -1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560   -0.8619   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990   -0.4057    1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274   -1.4554    1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643    1.5558   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772    1.3887   -2.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.3654    1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -1.1192    2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -0.8564    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595    0.1283   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748    0.8429   -2.0755 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