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
2.3275 -0.4805 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1295 0.8673 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8625 1.3793 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2666 0.5719 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 -0.7674 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 -1.2670 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4151 -1.3472 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3560 -0.4461 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7128 0.8507 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3363 -0.8662 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9845 1.5076 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6541 2.4227 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3838 -2.3127 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6126 -2.4041 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 -0.6086 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0346 1.2897 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9508 1.6106 0.6334 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