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
    2.7736   -0.9506   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093    0.3256   -0.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059    0.9332   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    2.2474   -0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2094    0.3213   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3511    1.0513    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155    0.4788    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619   -0.8678    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495   -1.6319    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917   -1.0545   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6181   -1.4998   -1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145   -1.5670    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181   -0.8980   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    2.7989   -0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    2.7809   -0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2811    2.1286    0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4465    1.1555    0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7344   -1.3277    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -2.6975   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.7269   -0.2883 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