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
-2.3187 0.2071 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0002 -1.1052 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 -1.5046 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 -0.5530 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 0.7628 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 1.1343 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2521 1.5339 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2559 0.7094 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7757 -0.6628 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3667 0.5236 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8055 -1.8478 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4634 -2.5561 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5321 2.1939 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3233 2.5906 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3283 0.9446 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1160 -1.0044 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 -1.3661 0.5918 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