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
-2.2543 0.6197 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 -0.7005 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9664 -1.3414 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2051 -0.6009 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1574 0.7169 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0935 1.3280 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5059 1.2348 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3531 0.2745 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 -0.9551 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2226 1.1113 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1215 -1.2263 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 -2.3792 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 2.3781 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8079 2.2368 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 0.3717 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8363 -1.2603 -1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8953 -1.8082 0.4102 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