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
    2.8439   -1.3285    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786   -1.2470    0.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898   -0.0063   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8640    0.9723   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    0.1728    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975   -0.9270    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509   -0.8733    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0988    0.3391    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    1.4347    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022    1.3549   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2109   -2.3697    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059   -0.9355    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699   -0.7633    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4670    1.9499   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    0.8451   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6189   -1.8968    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.7478    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1773    0.3876    0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533    2.3829   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    2.2559   -0.4785 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