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
2.3185 -0.2303 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0167 1.1161 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 1.5049 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3138 0.5549 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 -0.7770 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 -1.1539 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2607 -1.4974 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2754 -0.6620 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7755 0.6852 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3504 -0.5433 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8124 1.8283 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 2.5648 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5305 -2.2265 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2944 -2.5769 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3193 -1.0101 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 1.4042 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 1.0189 -0.8756 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