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
-2.3823 1.0746 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2119 1.8180 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0112 1.1608 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2260 1.7689 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3855 1.0260 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3279 -0.3473 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1165 -0.9837 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -0.1988 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.9519 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3303 -0.2856 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -2.3260 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6555 -2.3641 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3463 1.5924 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2175 2.8885 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2386 2.8357 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3516 1.4947 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2324 -0.9519 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2385 -0.8429 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 -3.1905 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3092 -3.2171 0.5963 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