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 0.6090 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1689 -0.7514 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9384 -1.3822 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2026 -0.5954 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 0.7643 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1264 1.3504 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4964 1.2811 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3844 0.3154 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 -0.9502 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2693 1.0569 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0606 -1.3575 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8535 -2.4669 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 2.4201 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7244 2.3395 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4792 0.4269 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9207 -1.6897 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8770 -1.3704 -1.1299 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