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
2.2866 0.2861 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0853 -1.0605 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 -1.4840 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2729 -0.5602 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 0.7796 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2678 1.2097 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 1.4768 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2990 0.6141 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7319 -0.7356 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3200 0.6341 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9319 -1.7542 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5715 -2.5453 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4214 2.2695 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4814 2.5619 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 0.8404 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1547 -1.4410 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9738 -1.0915 -1.2827 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