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
   -2.9625   -1.2022   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -0.9052    0.6425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026    0.2648    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    1.3694    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.1913    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336    1.2817    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    1.1914   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.0188    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185   -1.1237    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -1.0531    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -1.3080   -1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -2.1746    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338   -0.4166   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557    2.2835   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298    1.3801    0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822    2.2789   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027    2.0965   -0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035   -0.1082    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8025   -2.0977    0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424   -1.9295    0.7268 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