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
-2.5793 -0.2477 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 -1.3404 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -1.1140 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 -2.1243 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9430 -1.7698 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 -0.4262 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 0.5822 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0581 0.1961 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 1.2899 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 1.0609 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0654 2.4773 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3405 2.0353 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6348 -0.4973 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0381 -2.3594 0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 -3.1496 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7238 -2.5261 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3705 -0.1184 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 1.8895 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2848 3.4921 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 2.6499 -0.2196 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