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
2.2092 0.5972 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0351 -0.7301 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 -1.3577 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2322 -0.5803 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 0.7401 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1680 1.3394 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 1.2343 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 0.2792 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -0.9411 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1841 1.0921 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8612 -1.3146 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 -2.3931 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2808 2.3976 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5346 2.2454 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3260 0.3878 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7109 -1.8029 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 -1.1932 0.8171 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