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
-2.3036 -0.3817 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0821 0.9432 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8381 1.4586 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 0.5820 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0820 -0.7515 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2039 -1.2127 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3798 -1.4121 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3086 -0.5261 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 0.7949 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2894 -0.7633 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9518 1.6080 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6495 2.5029 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3458 -2.2681 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5432 -2.4840 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3776 -0.7546 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 1.5700 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8603 1.0946 1.4612 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