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
2.2575 0.7465 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2041 -0.5940 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 -1.2556 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2067 -0.6159 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 0.7255 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 1.3994 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5389 1.1463 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3851 0.1650 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 -1.0424 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2155 1.2497 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 -1.0912 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9726 -2.3110 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0974 2.4483 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8252 2.1593 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4832 0.1804 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 -1.8458 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -1.4645 -1.1390 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