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
-2.5588 -0.4627 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6124 -1.4932 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2686 -1.1553 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 -2.0942 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0439 -1.6048 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3309 -0.2379 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3086 0.6975 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0387 0.1786 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 1.2162 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1881 0.8791 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0903 2.4764 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2156 2.1629 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6016 -0.7307 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8807 -2.5171 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5064 -3.1383 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8796 -2.2896 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 0.1343 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9020 1.6830 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 3.4632 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0556 2.8325 0.3020 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