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
    2.4831    0.7914    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136   -0.5535   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7717   -0.8774   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812   -2.1675   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -2.3926   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9670   -1.3204   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -0.0249   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.1515    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    1.4845    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    1.8215    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491    2.2183    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531    1.3230    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    1.0570    0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278   -1.3500   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819   -2.9879   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4919   -3.3986   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0331   -1.4706   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160    2.8702    0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334    3.2938    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157    1.5321    0.0262 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