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
-2.2526 -0.6580 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1397 0.7124 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 1.3570 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2246 0.6266 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 -0.7451 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 -1.3760 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -1.2668 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3453 -0.2752 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6399 1.0155 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1933 -1.1705 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0477 1.2909 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8498 2.4269 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1245 -2.4691 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 -2.3280 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4181 -0.3539 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6673 1.5442 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9491 1.6691 0.5474 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