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
2.2938 0.5569 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1503 -0.8121 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9080 -1.4000 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2407 -0.6133 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1005 0.7546 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1651 1.3375 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 1.3055 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 0.3740 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6771 -0.9284 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3008 0.9953 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -1.4183 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7800 -2.4806 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2952 2.4067 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6557 2.3801 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 0.5312 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 -1.5669 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0315 -1.4224 -0.9189 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