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
2.5780 0.0409 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 -1.1481 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4909 -1.0239 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3085 -2.1501 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 -1.9769 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 -0.7081 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4541 0.4085 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1042 0.1990 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5935 1.3818 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 1.2905 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 2.4407 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6148 1.8630 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6500 -0.0220 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 -2.1200 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 -3.1058 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3055 -2.8564 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 -0.5586 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5319 2.2046 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 3.4872 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5686 2.3537 0.2256 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