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
2.2950 -0.6297 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1694 0.7269 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9308 1.3271 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2373 0.6174 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1113 -0.7427 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1329 -1.3454 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -1.2612 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3551 -0.2893 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 1.0134 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2615 -1.1386 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0683 1.3021 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 2.3943 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2538 -2.4154 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7356 -2.2901 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 -0.3779 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8873 1.7216 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0446 1.3877 0.9873 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