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
2.3374 0.3626 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0704 -0.9792 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7698 -1.4335 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3119 -0.5838 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0268 0.7530 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 1.2354 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 1.4124 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3185 0.5592 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7800 -0.7842 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 0.7390 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9234 -1.6326 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5529 -2.4882 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4215 2.2880 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4360 2.4761 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3869 0.7850 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1262 -1.2193 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 -1.4900 0.8320 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