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
2.2644 0.6177 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 -0.7298 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 -1.3578 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 -0.6174 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1331 0.7312 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 1.3427 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4639 1.2841 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 0.2988 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6586 -0.9786 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2573 1.0858 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0398 -1.3371 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8701 -2.4333 0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 2.4013 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6838 2.3335 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4278 0.4390 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 -1.7724 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -1.3079 1.0830 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