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
    3.0947    0.4865    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -0.4301    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -0.0597   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1695    0.3806   -1.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -0.1773   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -0.6531    1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599   -0.7844    1.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590   -0.4375    0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7337    0.0320   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4579    0.1587   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731    0.8720   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8689   -0.0654    0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390    1.3091    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751    0.4647   -2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    0.6664   -2.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707   -0.9155    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   -1.1493    2.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8573   -0.5381    1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    0.3099   -0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.5304   -1.8718 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