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
   -2.6417    0.1284    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   -0.9320    0.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339   -0.6281   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544   -0.7119   -1.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2378   -0.2234   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668   -0.1440    1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2380    1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227    0.5616    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877    0.4781   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853    0.0988   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848   -0.3104    2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015    0.9058    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182    0.5385    0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -0.5069   -2.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025   -1.0237   -1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.3992    1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    0.2926    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.8610    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268    0.7247   -1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    0.0522   -2.3270 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