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
2.2318 0.7441 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2516 -0.6298 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0397 -1.2856 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1672 -0.6204 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2081 0.7490 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 1.4053 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5922 1.1996 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3887 0.1584 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 -1.0638 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 1.2939 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1876 -1.1629 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0681 -2.3734 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9583 2.4927 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9345 2.2381 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5022 0.1794 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7641 -1.7710 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 -1.5536 -1.1130 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