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
   -2.6808    0.4006    1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1527   -0.6316    0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -0.2731   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.0003   -1.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -0.2063   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182   -0.5073    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372   -0.4562    1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   -0.1140    0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.1827   -0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.1351   -1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    1.1889    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.8483    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4525   -0.0733    1.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -0.0656   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    0.2881   -2.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1738   -0.7767    1.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998   -0.6932    2.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836   -0.0768    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    0.4538   -1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735    0.3769   -2.2049 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