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
2.2814 0.5909 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1785 -0.7645 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9405 -1.3614 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2434 -0.6515 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1251 0.7018 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1361 1.3083 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4487 1.2914 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3408 0.3318 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6733 -0.9684 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2677 1.0688 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0799 -1.3611 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8384 -2.4201 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 2.3842 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 2.3489 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4141 0.4530 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -1.6723 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 -1.2800 -1.1065 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