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
    2.2357    0.6790   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -0.6950   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -1.3032   -0.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068   -0.6042   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327    0.7675    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    1.4134   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    1.2203    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607    0.2356    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247   -1.0173    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    1.1974   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211   -1.2780   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -2.3883   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775    2.4895    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    2.2652    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4439    0.2665    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411   -1.7303    0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -1.5180   -0.8016 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