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
2.3270 0.3984 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1222 -0.9559 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8270 -1.4290 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2895 -0.6007 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 0.7588 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 1.2552 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 1.3970 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3348 0.5144 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7499 -0.8299 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3352 0.8038 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9610 -1.6670 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6524 -2.4942 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 2.3342 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4577 2.4927 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4084 0.7663 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -1.3690 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0964 -1.3751 0.9245 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