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
2.2396 0.5659 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 -0.7901 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -1.3897 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2220 -0.5957 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1153 0.7391 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1373 1.3491 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4719 1.2843 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 0.3296 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6569 -0.9322 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 1.0154 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0482 -1.3992 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 -2.4388 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1866 2.4191 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6687 2.3298 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4350 0.5053 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9288 -1.7411 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8651 -1.2509 1.2208 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