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
2.3104 0.2764 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 -1.0310 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 -1.4440 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2990 -0.5442 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 0.7555 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 1.1794 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 1.4337 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2856 0.6047 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7592 -0.7151 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 0.5857 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8212 -1.7420 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5078 -2.4677 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4874 2.1948 0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3896 2.4668 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3405 0.8734 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0790 -1.5210 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1114 -0.9055 -1.1260 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