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
2.1825 0.8978 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2305 -0.4732 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0925 -1.2406 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1515 -0.6622 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1688 0.7175 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 1.4986 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5935 1.0883 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3553 0.0129 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5359 -1.2014 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0941 1.5107 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1748 -0.9814 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 -2.3334 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8691 2.5784 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9359 2.1115 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4369 0.0224 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -1.8497 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8748 -1.6962 -0.8486 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