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
2.1540 1.0057 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2633 -0.3656 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1636 -1.1911 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1336 -0.6569 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2419 0.7069 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8867 1.5402 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6717 1.0132 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3777 -0.0932 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4681 -1.2528 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 1.6314 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2428 -0.7973 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2203 -2.2646 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 2.6022 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0640 2.0367 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4542 -0.1822 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6836 -1.7800 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6446 -1.9527 -0.8156 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