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
-2.5511 0.4140 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 -0.7266 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6469 -0.8593 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0168 -1.9350 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3962 -2.0032 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 -0.9486 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.1475 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 0.1585 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 1.2912 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7918 1.4412 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 2.0822 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 1.3987 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6236 0.5100 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6247 -1.5205 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5863 -2.7352 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8933 -2.8619 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1967 -0.9379 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 2.3307 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7035 3.0394 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8864 1.7150 0.8567 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