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
2.2774 -0.4928 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 0.6881 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9021 1.1960 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2251 0.5000 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0992 -0.6751 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1798 -1.1808 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -1.1340 -0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 -0.3044 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6695 0.8011 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2713 -0.8613 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9984 1.2515 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 2.1113 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2514 -2.1174 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 -2.0406 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4453 -0.3867 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 0.8859 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 1.7589 -0.1327 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