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
2.3195 0.4812 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1579 -0.8891 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 -1.4188 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2480 -0.6087 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1054 0.7599 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2030 1.2567 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 1.3929 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3545 0.4728 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 -0.8516 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3257 0.8768 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9793 -1.5850 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7423 -2.5081 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2971 2.3531 -0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5799 2.4803 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4447 0.6258 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.4624 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0733 -1.3758 -0.8546 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