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
    2.6914    1.1269   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342   -0.1130    0.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222   -0.8480    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420   -2.1760    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936   -0.2583   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780   -1.0433    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596   -0.5743    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7906    0.6622   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290    1.4392   -0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205    0.9898   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    1.4230   -1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7827    1.1627    0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    1.9879    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -2.8804   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333   -2.6516    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -2.0519    0.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878   -1.2321    0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055    1.0058   -0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585    2.4344   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    1.5969   -0.8850 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