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
0.1161 2.6364 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0653 1.9196 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 0.5212 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1495 -0.2713 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9994 -1.6586 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7713 -2.2869 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 -1.4788 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1847 -0.1162 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 0.5670 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 1.9639 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4025 -0.4592 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8032 -1.6656 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 3.7227 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0282 2.3799 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1099 0.2038 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 -2.2667 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6121 -3.3474 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2601 2.4879 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4617 -0.2507 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 -2.6009 -0.0173 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