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
2.3131 0.2144 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0100 -1.1288 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 -1.5070 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3084 -0.5502 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0199 0.7848 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3197 1.1540 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2690 1.5069 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2867 0.6755 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 -0.6825 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3293 0.5719 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -1.8427 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 -2.5516 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5320 2.2132 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 2.5965 -0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3340 1.0167 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1772 -1.2062 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0041 -1.2649 -0.9109 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