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
2.5435 0.5446 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 1.5278 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 1.1321 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 2.0182 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 1.5232 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3945 0.1632 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -0.7165 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 -0.1943 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9276 -1.1723 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2657 -0.8064 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1999 -2.4375 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1209 -2.1604 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5815 0.8449 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7803 2.5805 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 3.0589 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9929 2.1906 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3865 -0.2634 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 -1.5571 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6748 -3.3925 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9160 -2.8836 0.1055 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