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
-1.4909 -2.1282 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0006 -0.8338 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1362 0.2439 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5173 1.5660 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 2.5844 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 2.2359 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1746 0.9057 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -0.0638 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7268 -1.3300 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1451 -2.4216 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 -1.1371 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 0.1826 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -2.9237 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 -0.6251 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5552 1.7826 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 3.6031 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5106 3.0167 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2757 -3.4105 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9084 -1.9191 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3926 0.6720 0.0569 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