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
-2.3387 -1.1876 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -1.8681 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0573 -1.1578 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -1.7712 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.9660 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3456 0.4298 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 1.0329 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 0.2038 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1648 0.9159 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3551 0.2003 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7893 2.3288 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5538 2.3880 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2914 -1.6833 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -2.9256 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3490 -2.8468 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4111 -1.3969 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2043 1.0729 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2541 0.7856 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4429 3.1725 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1602 3.2725 -0.0826 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