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
   -3.0032    0.6699    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752    0.5647   -0.6506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107   -0.4542   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622   -1.6902   -0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.1356   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736    1.1870    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    1.5729    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    0.5856    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.7361    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -1.0726   -0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616    0.8008    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381    1.5358   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7020   -0.2152    0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183   -1.8427   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092   -2.5456   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    1.9100    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788    2.6142    0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9072    0.8690    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4342   -1.5082    0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588   -2.1096   -0.3689 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