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
    2.3374    0.3626   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704   -0.9792   -0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698   -1.4335   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119   -0.5838   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0268    0.7530    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.2354    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162    1.4124    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3185    0.5592    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -0.7842    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3536    0.7390   -0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234   -1.6326   -0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -2.4882   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215    2.2880    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360    2.4761    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    0.7850    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262   -1.2193   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162   -1.4900    0.8320 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