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
-2.2619 0.5507 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1316 -0.8113 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 -1.4393 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2167 -0.6051 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1189 0.7596 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1450 1.3493 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3231 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3486 0.3612 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 -0.9230 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2412 1.0359 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 -1.3927 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8128 -2.5166 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1920 2.4184 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7003 2.3815 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 0.5059 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7939 -1.3598 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 -1.6378 0.6316 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