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
1.9187 -1.7729 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 -2.1196 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3757 -1.1058 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7306 -1.3243 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 -0.2344 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 1.0803 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 1.2880 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0617 0.1902 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.5619 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3443 -0.4463 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3986 2.0198 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 2.4433 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6491 -2.5583 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2136 -3.1240 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0875 -2.3397 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6557 -0.3995 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7799 1.9325 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3847 -0.1661 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 2.6176 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1972 3.4571 -0.3514 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