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
   -2.3462    1.7840   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683    0.5364    0.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2710   -0.4572    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -1.6975    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1477   -0.3634    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884    0.7056   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386    0.8420   -0.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8197   -0.1140   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036   -1.1930    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504   -1.3269    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4075    1.9025   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    2.4854    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3419    2.2060    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0916   -2.5401    0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100   -1.8468    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    1.4270   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    1.6868   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    0.0225   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -1.9065    0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -2.1527    1.1451 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