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
-1.8571 1.8470 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 2.1019 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 1.0599 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7838 1.2214 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6187 0.1268 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0605 -1.1261 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 -1.3094 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0886 -0.1810 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 -0.5031 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 0.5482 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4763 -1.9513 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2159 -2.4278 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 2.6859 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1191 3.0917 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 2.1860 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6951 0.2472 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6937 -1.9965 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 0.3305 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3679 -2.5095 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1147 -3.4418 0.4354 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