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
-2.2476 0.7560 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2187 -0.6164 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 -1.2810 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2000 -0.6375 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1722 0.7316 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 1.4154 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5505 1.1887 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.1484 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 -1.1131 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1897 1.3069 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1728 -1.1180 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -2.3637 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0523 2.4987 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8682 2.2174 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4594 0.2447 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8001 -1.8443 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8991 -1.5339 1.0293 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