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
    3.2984   -0.1673   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191    0.3136    0.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206   -0.5188   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -1.7224   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076    0.0013    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5323    1.3178    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614    1.8641    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    1.1502    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260   -0.1431    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -0.7020   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953   -1.0612    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186    0.6528   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -0.4138   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -2.3871   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -2.0685   -0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740    1.8991    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    2.8814    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8961    1.5927    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.7638    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -1.7249   -0.3806 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