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
2.4051 -0.9698 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -1.7903 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0477 -1.1710 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1346 -1.8806 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3065 -1.1690 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3305 0.2314 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 0.9494 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0009 0.2022 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0891 1.0366 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3216 0.4272 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5627 2.4020 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 2.3758 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3700 -1.4271 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3518 -2.8656 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1290 -2.9481 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2463 -1.7020 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 0.7807 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1936 1.0580 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1754 3.2835 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 3.1766 0.2000 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