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
2.4415 -0.8626 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3735 -1.7240 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1200 -1.1369 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0170 -1.9212 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2345 -1.2780 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 0.1165 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 0.8993 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0189 0.2337 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0236 1.0949 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 0.5287 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4408 2.4199 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8930 2.3176 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4302 -1.2982 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 -2.7940 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8769 -2.9869 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1334 -1.8716 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2960 0.6280 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1193 1.1876 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9868 3.3345 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 3.1128 0.0351 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