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
    2.7423   -1.1070   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -0.2576   -1.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    0.6910   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740    1.9265   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808    0.3217   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7090   -1.0008   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537   -1.4319    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8599   -0.5615    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471    0.7406    0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    1.1922    0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526   -1.7519    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3499   -1.7154   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -0.5390    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741    2.7154    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001    2.1581   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -1.6834   -0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613   -2.4764   -0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8443   -0.9062    0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    1.4454    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095    2.2402    0.5919 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