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
   -2.6322   -1.2668   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -0.4722   -1.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422    0.5750   -0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    1.7226   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440    0.3180   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7834   -0.9307   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -1.2495   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -0.3057    0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    0.9229    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778    1.2471    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014   -1.7010    0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850   -0.5840    0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -2.0031   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    2.5407    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941    1.8101   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534   -1.6916   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -2.2486   -0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9432   -0.5928    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165    1.6685    1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6873    2.2410    0.6566 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