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
    3.2521    0.6597    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    0.7557    0.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093   -0.2867    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -1.3963   -0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301   -0.0815    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    1.1658    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2371    1.3701    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1519    0.4070    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6843   -0.8033   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -1.0559   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    0.4817   -0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644   -0.2521    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854    1.5750    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -1.5097   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683   -2.2339   -0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813    1.9316    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6431    2.3164    0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319    0.5837    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -1.5917   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -2.0356   -0.6619 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