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
2.4831 0.7914 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1136 -0.5535 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 -0.8774 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2812 -2.1675 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 -2.3926 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.3204 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4994 -0.0249 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.1515 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2063 1.4845 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 1.8215 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0491 2.2183 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 1.3230 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5283 1.0570 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8278 -1.3500 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9819 -2.9879 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4919 -3.3986 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0331 -1.4706 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8160 2.8702 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1334 3.2938 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 1.5321 0.0262 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