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
-1.1875 2.3004 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 1.0909 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1529 -0.0748 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 -1.3451 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9209 -2.4792 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4480 -2.3098 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 -1.0590 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2174 0.0404 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9206 1.2118 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1886 2.3919 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3241 0.8304 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -0.5167 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 3.1971 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9577 1.0308 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7850 -1.4007 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3925 -3.4554 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0850 -3.1712 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 3.3166 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1387 1.5205 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2866 -1.1189 0.2069 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