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
-2.3094 0.2296 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9995 -1.1072 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6853 -1.5209 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2962 -0.5413 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0011 0.7828 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3421 1.1811 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 1.5187 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 0.6862 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7652 -0.6763 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3629 0.5205 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8004 -1.8097 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3972 -2.5643 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5532 2.2230 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3238 2.5936 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3250 0.9111 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 -1.0396 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0517 -1.3872 0.8702 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