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
2.2974 -0.8432 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1388 -1.6222 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0281 -1.0627 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2237 -1.7539 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 -1.1035 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1673 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 0.8555 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 0.1929 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 0.9799 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 0.4266 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7227 2.2468 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 2.1483 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2030 -1.2930 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 -2.5994 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2871 -2.7442 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 -1.6349 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 0.6727 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1999 1.0053 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.0600 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 2.9016 1.5385 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