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
2.6159 -0.3202 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -1.3710 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3268 -1.1118 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 -2.0735 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0076 -1.6768 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3900 -0.3630 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3772 0.6005 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 0.1960 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8157 1.2368 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 0.9793 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 2.4322 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3093 2.0550 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6791 -0.5381 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0025 -2.3744 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3682 -3.0890 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7662 -2.4480 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4112 -0.0621 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8837 1.7812 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 3.4494 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1759 2.6975 0.3357 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