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
0.9011 -2.4474 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7300 -1.3319 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.0767 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8933 1.0977 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 2.2970 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 2.3782 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8977 1.1922 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2052 0.0061 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -1.0767 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -2.3233 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3925 -0.5098 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3087 0.8288 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 -3.4101 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 -1.3881 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9630 1.0249 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 3.1952 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7374 3.2860 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1361 -3.1775 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2936 -1.0889 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1306 1.5246 0.1904 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