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
2.3114 -0.3995 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 0.9333 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7945 1.4138 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2508 0.5509 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0732 -0.7820 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 -1.2359 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3765 -1.3904 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3334 -0.4983 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 0.7969 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3386 -0.7335 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9293 1.5989 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6509 2.4635 -0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4032 -2.2816 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5542 -2.4469 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4233 -0.6898 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0005 1.5157 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0470 1.1850 -1.0917 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