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
-2.0457 -1.6136 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7528 -2.0879 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -1.1497 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6107 -1.4754 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 -0.4651 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 0.8838 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 1.2227 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0403 0.1837 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3198 0.6856 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3466 -0.2466 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1872 2.1317 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0938 2.4882 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8985 -2.2854 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4955 -3.1247 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -2.5206 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6079 -0.7084 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9150 1.6802 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3505 0.1259 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0304 2.7959 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5079 3.4798 0.2084 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