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
-2.2656 0.6115 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -0.6893 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 -1.3059 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.6116 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 0.6854 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0860 1.3074 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5054 1.1822 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3716 0.2641 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6203 -0.9491 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2117 1.0803 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1051 -1.2521 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8912 -2.3210 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0979 2.3488 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7644 2.1921 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 0.4059 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7429 -1.1053 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.8433 -0.1349 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