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
2.6186 -0.2960 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7087 -1.3546 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3427 -1.1044 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 -2.0973 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 -1.7167 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 -0.3952 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3929 0.6014 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0651 0.2042 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7761 1.2850 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 0.9994 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 2.4523 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3543 2.0533 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6818 -0.5126 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 -2.3700 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -3.1083 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6960 -2.5189 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 -0.0896 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8226 1.8260 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 3.4688 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2196 2.6733 0.1139 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