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
2.2227 0.8291 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.5489 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0636 -1.2679 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1741 -0.6546 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 0.7198 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 1.4433 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 1.1230 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3945 0.0778 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5751 -1.1338 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1450 1.4158 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2126 -1.0426 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1066 -2.3529 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 2.5218 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9044 2.1764 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4939 0.1602 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7447 -1.7355 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8524 -1.7310 0.8172 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