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
2.1788 0.9052 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2361 -0.4688 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1021 -1.2484 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -0.6581 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 0.7162 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9525 1.4975 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5897 1.0892 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 0.0384 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 -1.1714 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0919 1.4663 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 -1.0128 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 -2.3297 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8741 2.5844 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 2.1033 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4578 0.0293 -0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.7600 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7923 -1.7804 0.7358 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