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
2.2233 0.6938 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 -0.5895 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9943 -1.2604 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 -0.5889 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 0.6831 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 1.3471 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5150 1.1244 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3496 0.1631 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6029 -0.9911 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1757 1.1987 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0964 -1.0631 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9165 -2.2715 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 2.3545 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7947 2.0977 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4572 0.1904 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8184 -1.1650 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -1.9231 0.2974 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