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
2.1210 -1.4787 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.0822 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9832 0.6239 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 2.0185 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3398 2.6051 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 1.8275 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4302 0.4373 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1729 -0.1091 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2439 -1.4827 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9514 -2.2025 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6570 -1.8190 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3578 -0.6746 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0506 -2.0362 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0926 0.4717 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 2.5972 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3970 3.6922 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 2.2939 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9227 -3.2762 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0406 -2.8176 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4218 -0.5885 0.2382 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