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
2.3108 0.5300 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 -0.8089 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8836 -1.3662 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2658 -0.5905 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.7439 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1941 1.3100 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 1.3157 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 0.3959 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7169 -0.9174 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3277 0.9534 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 -1.4313 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7146 -2.4110 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2987 2.3534 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 2.3583 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4388 0.5172 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -1.6551 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0093 -1.2974 1.1944 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