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
2.2357 0.6790 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2023 -0.6950 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 -1.3032 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -0.6042 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1327 0.7675 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1019 1.4134 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4956 1.2203 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 0.2356 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 -1.0173 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1790 1.1974 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1211 -1.2780 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -2.3883 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0775 2.4895 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8062 2.2652 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4439 0.2665 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7411 -1.7303 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0037 -1.5180 -0.8016 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