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
-2.2518 -1.3082 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 0.0879 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 0.6906 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7501 2.0619 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5629 2.5498 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6654 1.7175 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 0.3486 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1509 -0.1231 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1104 -1.4988 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1393 -2.1138 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 -1.9283 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2792 -0.8604 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 -1.7891 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0576 0.7108 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 2.7073 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7290 3.6215 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6882 2.0587 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1724 -3.1893 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8516 -2.9385 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3652 -0.8051 0.0071 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