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
2.0767 0.7890 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 -0.4230 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2005 -1.0928 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0889 -0.5791 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2656 0.6314 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8049 1.3154 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6813 0.9698 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3462 0.0268 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3996 -1.0370 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 1.3325 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 -0.8525 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -2.0553 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6203 2.2742 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1177 1.8912 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4050 0.0071 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 -1.2331 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7300 -1.9647 -0.3038 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