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
2.2952 0.5291 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 -0.8018 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9109 -1.3388 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -0.5950 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0891 0.7307 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1793 1.2980 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4375 1.2652 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3588 0.3516 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6889 -0.9116 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2980 0.9770 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0577 -1.4250 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7711 -2.3829 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2697 2.3427 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6324 2.3129 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4459 0.5347 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0027 -1.6685 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -1.2185 -1.1933 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