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
2.4681 -0.8672 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -1.6926 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0664 -1.1519 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1117 -1.9021 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3293 -1.2188 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3785 0.1570 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 0.8994 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0074 0.2133 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0822 1.0539 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3436 0.4974 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 2.3966 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 2.3120 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4408 -1.3565 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4051 -2.7676 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0301 -2.9747 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2287 -1.8161 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3128 0.6816 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2017 1.1185 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1141 3.2841 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5241 3.1338 -0.1875 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