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
-2.2362 0.6805 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1552 -0.6976 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9657 -1.3633 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2119 -0.6183 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1476 0.7539 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0712 1.4124 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 1.2665 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3591 0.2573 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 -1.0320 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2109 1.1468 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0768 -1.2969 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -2.4290 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 2.5029 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 2.3333 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4207 0.3490 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8884 -1.6316 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7651 -1.6339 1.1312 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