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
-2.5285 0.2569 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6145 1.2882 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 1.0263 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7334 1.9418 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0366 1.6146 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3101 0.3753 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3031 -0.5575 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -0.1889 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 -1.2172 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1527 -0.9541 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 -2.3325 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1855 -1.9151 -0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5591 0.4682 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 2.2286 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5138 2.9085 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 2.3628 0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3113 0.1324 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8871 -1.6962 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4834 -3.2725 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 -2.4699 -1.3070 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