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
2.2774 0.6350 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 -0.7189 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 -1.3607 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -0.6152 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 0.7439 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1176 1.3687 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4933 1.2696 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3564 0.2935 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6571 -0.9838 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2666 1.1011 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0575 -1.3193 -0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8578 -2.4289 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 2.4264 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 2.3271 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4430 0.4074 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 -1.4739 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9291 -1.6719 0.6407 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