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
2.3132 0.1612 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0606 -0.9967 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7452 -1.3014 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 -0.4609 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 0.6853 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3066 0.9958 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2917 1.3265 0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2931 0.6245 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.5660 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3575 0.4199 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8813 -1.6354 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5339 -2.2060 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 1.9059 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 2.2593 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3699 0.8602 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1571 -1.5132 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0581 -0.5590 -1.5347 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