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
-2.2799 0.5144 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0811 -0.8514 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 -1.4210 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2586 -0.6025 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0730 0.7465 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2018 1.3182 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3761 1.3568 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 0.4322 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6995 -0.8837 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2942 0.9082 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9132 -1.5176 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6352 -2.4762 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 2.3798 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 2.4142 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3640 0.6155 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8686 -1.5985 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0548 -1.3350 -0.7910 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