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
    2.1210   -1.4787   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -0.0822   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9832    0.6239   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070    2.0185   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    2.6051   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879    1.8275    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302    0.4373    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729   -0.1091    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -1.4827    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514   -2.2025   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -1.8190    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3578   -0.6746    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506   -2.0362   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    0.4717   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    2.5972   -0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970    3.6922   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506    2.2939    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -3.2762   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   -2.8176    0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -0.5885    0.2382 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