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
-2.2698 0.4619 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 -0.9037 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8599 -1.4547 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2476 -0.5874 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0855 0.7676 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2033 1.3035 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4093 1.3693 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3382 0.4551 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6947 -0.8606 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2718 0.8973 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0154 -1.5027 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7091 -2.5208 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2827 2.3820 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 2.4455 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4286 0.6315 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0236 -1.4577 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9346 -1.4261 1.1291 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