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
2.2001 0.8922 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -0.4840 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 -1.2095 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1631 -0.6166 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 0.7581 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9589 1.4911 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6365 1.1120 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3893 0.0350 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5460 -1.1970 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1218 1.4597 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2433 -0.9519 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1275 -2.3012 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9135 2.5675 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0219 2.1108 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4801 -0.0451 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7126 -1.8620 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7342 -1.7588 -1.0027 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