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
2.3229 -1.1216 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1598 -1.8714 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -1.1786 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2584 -1.8307 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3676 -1.0247 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3063 0.3785 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 1.0243 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0079 0.1933 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1342 0.9668 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 0.2765 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 2.3892 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 2.4098 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2633 -1.6427 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1238 -2.9387 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3506 -2.8956 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3376 -1.5038 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1790 1.0053 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2349 0.8531 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 3.2245 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1994 3.2864 0.0650 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