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
2.3365 -0.2234 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0559 1.1268 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 1.4958 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 0.5628 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0298 -0.7826 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -1.1511 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2793 -1.5234 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 -0.6877 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 0.6922 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3702 -0.5325 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8667 1.8408 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 2.5648 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5101 -2.2230 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3558 -2.6204 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3746 -0.9632 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1544 1.1622 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1329 1.2619 0.8828 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