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
2.2243 0.6893 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 -0.6915 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0032 -1.3356 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1883 -0.6069 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1819 0.7671 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0456 1.4102 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5534 1.2545 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3703 0.2187 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5949 -1.0373 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1779 1.2022 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1691 -1.2234 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0203 -2.4119 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0284 2.5045 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8997 2.2800 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4780 0.2913 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8022 -1.6618 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 -1.6493 -0.8681 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