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
2.2823 -0.5712 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1738 0.7800 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9321 1.3506 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2227 0.5797 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1172 -0.7676 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1426 -1.3417 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4746 -1.2596 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3683 -0.3223 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6387 0.9460 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2508 -1.0326 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0742 1.4076 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8582 2.4073 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1569 -2.3937 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 -2.3052 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4718 -0.4575 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9666 1.6647 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 1.3155 1.2796 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