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
2.2067 0.8218 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2112 -0.5423 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0863 -1.2824 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1620 -0.6403 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1868 0.7210 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9917 1.4678 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5905 1.1309 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3771 0.0991 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5497 -1.1068 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1411 1.3461 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1687 -1.0512 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 -2.3589 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9026 2.5316 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 2.1556 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4725 0.1114 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8385 -1.7933 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6833 -1.6100 -1.2044 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