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
2.2694 0.6015 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1903 -0.7270 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 -1.2976 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2271 -0.5682 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 0.7559 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1234 1.3242 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4962 1.2275 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 0.2760 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 -0.9482 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2525 1.0463 0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1068 -1.2894 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8962 -2.3414 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1599 2.3632 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7737 2.2344 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4692 0.3725 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -1.2732 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8715 -1.7567 0.5674 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