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
2.2634 0.6115 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2015 -0.7418 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9534 -1.3157 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2276 -0.5856 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1429 0.7566 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 1.3545 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 1.2577 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3704 0.2900 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 -0.9592 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2448 1.0611 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1090 -1.3136 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8737 -2.3767 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1416 2.4148 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7852 2.2872 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4741 0.3883 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8279 -1.7267 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9345 -1.4025 -1.1061 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