Monomers

Indene

Identifiers

IUPAC name
1H-indene
InchI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InchI Key
YBYIRNPNPLQARY-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)C=CC2
Canonical SMILES
C1C=CC2=CC=CC=C21
Isomeric SMILES
C1C=CC2=CC=CC=C21
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8
Heavy Atom Count
9
Molecular Weight
116.163
Exact Molecular Weight
116.0626
Valence Electrons
44
Radical Electrons
0
tPSA
0.0
MolLogP
2.2559
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2813   -0.3764    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    0.9740    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338    1.4649   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    0.5940   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -0.7718    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -1.2611    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -1.4543    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.5376   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215    0.8137   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3070   -0.7696    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881    1.6201    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    2.5319   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -2.3362    0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866   -2.5139    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892   -0.7057   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902    1.2542   -1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0923    1.4737    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  6  1  1  0
  9  4  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers