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
-2.2538 0.6174 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1655 -0.7361 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 -1.3759 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1978 -0.6061 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1525 0.7439 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 1.3535 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5001 1.2872 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 0.2728 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 -0.9964 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1979 1.1579 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 -1.3220 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 -2.4382 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1215 2.4299 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7438 2.3294 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4027 0.4166 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9394 -1.4651 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8549 -1.6688 -0.7840 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