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
2.2813 -0.3764 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1139 0.9740 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 1.4649 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2501 0.5940 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0787 -0.7718 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2268 -1.2611 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 -1.4543 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 -0.5376 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 0.8137 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3070 -0.7696 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9881 1.6201 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7009 2.5319 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 -2.3362 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5866 -2.5139 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3892 -0.7057 -0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9902 1.2542 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0923 1.4737 0.6953 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