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
2.3090 -0.4246 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 0.9410 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8531 1.4233 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2513 0.5999 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 -0.7630 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2113 -1.2576 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.3795 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 -0.4818 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7030 0.8417 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2939 -0.8752 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0084 1.5856 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 2.4986 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2805 -2.3379 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5709 -2.4610 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4414 -0.6930 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 1.3981 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 1.3855 1.1238 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