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
2.3093 0.2691 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 -1.0897 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7042 -1.5027 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 -0.5418 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 0.7894 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3216 1.2132 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2719 1.5063 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2845 0.6712 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7722 -0.6848 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3530 0.5470 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7901 -1.8384 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 -2.5602 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5711 2.2518 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3560 2.5850 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3595 0.8985 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 -1.1403 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -1.3736 0.8380 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