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
-2.3312 0.2493 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9997 -1.0870 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 -1.5350 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3113 -0.5778 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 0.7652 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3141 1.1759 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2708 1.5116 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.6801 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7811 -0.6954 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3814 0.5680 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8535 -1.7829 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4690 -2.5780 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5253 2.2412 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3662 2.5787 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 0.9977 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -1.3151 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 -1.1965 1.0574 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