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
2.2720 0.4842 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1606 -0.8768 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 -1.4191 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2416 -0.6200 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1132 0.7388 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 1.2960 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 1.3703 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3185 0.4169 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 -0.8951 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2583 0.9238 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0411 -1.5149 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7108 -2.4673 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2542 2.3614 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 2.4424 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3856 0.6163 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9825 -1.5431 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0165 -1.3138 1.0328 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