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
2.5969 0.1307 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9038 -1.0846 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5211 -1.0598 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2590 -2.2155 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 -2.0312 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2269 -0.7659 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4395 0.3758 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 0.1693 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5611 1.3807 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9459 1.3596 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 2.4321 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6572 1.8283 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6754 0.1157 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4123 -2.0308 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2169 -3.1805 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3023 -2.8717 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2928 -0.6334 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4583 2.3015 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 3.4911 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6129 2.2887 0.0378 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