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
2.2983 -0.1554 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 1.0786 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7095 1.3988 0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2983 0.4891 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -0.7343 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 -1.0574 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -1.4249 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2953 -0.6751 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7619 0.5941 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3289 -0.4206 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 1.7803 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 2.3691 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5212 -2.0241 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3382 -2.4360 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3346 -0.9972 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 1.4220 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0828 0.7929 1.4115 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