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
-2.2646 -0.5855 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1801 0.7606 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9526 1.3628 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2426 0.6384 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1577 -0.7169 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0931 -1.3128 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -1.3048 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3394 -0.3279 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6643 0.9691 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2320 -1.0440 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1090 1.3322 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8754 2.4252 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1570 -2.3868 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7032 -2.3738 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4247 -0.5089 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 1.7344 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8266 1.3388 1.3121 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