Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-1.5178 2.1249 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0236 0.8205 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 -0.2374 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 -1.5726 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5421 -2.5468 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8128 -2.2479 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1784 -0.9052 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 0.0394 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 1.3227 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1654 2.3958 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1625 1.1369 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -0.1796 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 2.9490 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 0.6102 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5720 -1.7888 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 -3.5887 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -2.9970 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 3.3900 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8741 1.9260 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4049 -0.6513 -0.1135 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
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers