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
-1.2387 2.2547 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1443 2.1277 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7306 0.9022 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 0.6768 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5265 -0.6049 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6416 -1.6810 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2806 -1.4488 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1156 -0.1569 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 -0.0516 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 1.1809 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9642 -1.4212 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9318 -2.2483 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6473 3.2477 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7842 2.9789 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7731 1.4838 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5830 -0.8027 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0050 -2.6761 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1389 1.2499 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9858 -1.7168 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9638 -3.2943 0.5774 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