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
2.3165 0.4577 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1458 -0.9147 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8588 -1.4130 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 -0.5776 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 0.7851 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2158 1.2774 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.3730 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3691 0.4754 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 -0.8497 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3376 0.8296 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9854 -1.5965 -0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6585 -2.4868 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3380 2.3370 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 2.4579 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4580 0.6546 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -1.3299 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 -1.4794 0.8755 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