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
2.3183 -0.4300 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 0.9224 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 1.4071 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2842 0.6016 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0622 -0.7493 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2394 -1.2412 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3592 -1.3732 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3327 -0.4915 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7271 0.8351 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3480 -0.8188 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9546 1.5659 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6249 2.4732 -0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4111 -2.2957 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4894 -2.4364 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4138 -0.6806 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0013 1.4968 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 1.2145 -0.9006 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