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
    2.8160   -0.8714    0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.3054    0.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465   -0.3043   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    0.3242   -1.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    0.0050   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.9897   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535    1.2329   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9766    0.5038    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.4773    1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644   -0.7399    0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -0.4462    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817   -1.6770    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204   -0.0461    1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960    0.0397   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    1.0943   -2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866    1.5750   -1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9092    1.9951   -1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0158    0.6774    0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -1.0550    1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -1.5146    1.2765 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